SCHEMBL452831

SCHEMBL452831

Cc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.42
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA5A P35218 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16509905 0.91 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL24871316 0.91 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL13701491 0.89 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL10033199 0.89 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL440244 0.86 CYP2A6 (0.57) ALDH1A1TSHRTDP1CYP2A6CA1
SCHEMBL28912876 0.86 CYP2A6 (0.57) ALDH1A1TSHRTDP1CYP2A6CA1
SCHEMBL11878908 0.86 TSHR (0.71) ALDH1A1TSHRACHETDP1NPC1
SCHEMBL808 0.83
SCHEMBL11624810 0.80 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL624563 0.80 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12167689-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-12-10 US disclosed
US-11903311-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-02-13 US disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
US-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-22 US disclosed
US-20220336757-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-10-20 US disclosed
EP-3480194-B1 HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES USING SAME LG CHEMICAL LTD (KR) 2021-09-08 EP disclosed
EP-3480194-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2019-05-08 EP disclosed
US-20180337348-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2018-11-22 US disclosed
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 US disclosed
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 US disclosed
US-8080653-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-20 US disclosed
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S 2009-09-17 US disclosed
US-7553977-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-30 US disclosed
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-30 US disclosed
US-7314941-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-01 US disclosed
US-7148361-B2 For the production of solar cells and molecular memory devices NORTH CAROLINA STATE UNIVERSITY (US) 2006-12-12 US disclosed
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces ZETTACORE, INC. 2005-05-05 US disclosed
US-20050067951-A1 For example, N,N'-bis-(4'-(N-triphenylmethyl)-phenyl)-N-naphth-1-yl-amino)-bi-phenylyl)-N,N'-bisphenyl-2,7-amino-9-phenylcarbazole; hole transfer material SENSIENT IMAGING TECHNOLOGIES GMBH 2005-03-31 US disclosed
EP-1470100-A1 TRIARYLAMINE DERIVATIVES AND THE USE THEREOF IN ORGANIC ELECTROLUMINESCENT AND ELECTROPHOTOGRAPHIC DEVICES Sensient Imaging Technologies GmbH (DE) 2004-10-27 EP disclosed
WO-2003064373-A1 TRIARYLAMINE DERIVATIVES AND THE USE THEREOF IN ORGANIC ELECTROLUMINESCENT AND ELECTROPHOTOGRAPHIC DEVICES SENSIENT IMAGING TECHNOLOGIES GMBH (DE) 2003-08-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, EPCAM ALDH1A1 969/4885TSHR 3804/4885MEN1 2836/4885
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO ALDH1A1 1570/4885TSHR 4020/4885MEN1 1918/4885
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces PPOX, DAO, DDO ALDH1A1 1570/4885TSHR 4020/4885MEN1 1918/4885
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EMC1, EMC2, EPCAM ALDH1A1 969/4885TSHR 3804/4885MEN1 2836/4885
US-11903311-B2 Heterocyclic compound and organic light emitting device comprising the same CYP1A1, CYP1B1, CHRM1 ALDH1A1 173/4885TSHR 3043/4885MEN1 533/4885
US-20050067951-A1 For example, N,N'-bis-(4'-(N-triphenylmethyl)-phenyl)-N-naphth-1-yl-amino)-bi-phenylyl)-N,N'-bisphenyl-2,7-amino-9-phenylcarbazole; hole transfer material NAT1, NUCB2, PNN ALDH1A1 2424/4885TSHR 1351/4885MEN1 4323/4885
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO ALDH1A1 1570/4885TSHR 4020/4885MEN1 1918/4885
US-20180337348-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, ORC3 ALDH1A1 94/4885TSHR 4111/4885MEN1 909/4885
US-12167689-B2 Heterocyclic compound and organic light emitting device comprising the same C1S, ARRB1, CRY1 ALDH1A1 321/4885TSHR 1567/4885MEN1 1748/4885
US-20220336757-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME C1S, CNR1, ARRB1 ALDH1A1 306/4885TSHR 1601/4885MEN1 2063/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.