SCHEMBL347485

SCHEMBL347485

c1ccc(-c2cccc3ccccc23)c(Nc2ccc(-c3ccc(Nc4ccccc4-c4cccc5ccccc45)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CDC25B P30305 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FADS1 O60427 1/20 0.44
CA12 O43570 3/20 0.42

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
SCHEMBL30035585 0.97 CDC25B (0.53) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL21905509 0.97 CDC25B (0.53) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL4054971 0.97 ALDH1A1 (0.58) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL29772965 0.97 ALDH1A1 (0.58) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL24910923 0.95 CDC25B (0.55) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL29830213 0.95 CDC25B (0.55) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL4579833 0.94 ALDH1A1 (0.62) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL3368387 0.92 ALDH1A1 (0.49) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL5907883 0.92 ALDH1A1 (0.49) ALDH1A1CDC25BTP53CYP3A4HPGD
SCHEMBL2549565 0.92 MAPT (0.49) ALDH1A1CDC25BTP53CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2762514-B1 COMPOSITION HAVING CHANGEABLE SOLUBILITY, HOLE TRANSPORT MATERIAL COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT PRODUCED USING EACH OF SAID COMPOSITIONS SHOWA DENKO MATERIALS CO LTD (JP) 2021-03-17 EP disclosed
US-20200259085-A1 TREATMENT LIQUID CONTAINING IONIC COMPOUND, ORGANIC ELECTRONIC ELEMENT, AND METHOD FOR PRODUCING ORGANIC ELECTRONIC ELEMENT HITACHI CHEMICAL COMPANY, LTD. 2020-08-13 US disclosed
US-10665786-B2 Treatment liquid containing ionic compound, organic electronic element, and method for producing organic electronic element HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-05-26 US disclosed
US-10538698-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2020-01-21 US disclosed
EP-2416394-B1 ORGANIC HYBRID PLANAR - NANOCRYSTALLINE BULK HETEROJUNCTIONS UNIV PRINCETON (US) 2018-08-22 EP disclosed
WO-2017095054-A1 COMPOUND FOR ORGANIC-ELECTRIC ELEMENT, ORGANIC-ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE FOR SAME 덕산네오룩스 주식회사 2017-06-08 WO disclosed
US-20170044308-A1 POLYMER OR OLIGOMER, HOLE TRANSPORT MATERIAL COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT USING SAME HITACHI CHEMICAL COMPANY, LTD. (JP) 2017-02-16 US disclosed
US-9537101-B2 Composition capable of changing its solubility, hole transport material composition, and organic electronic element using the same HITACHI CHEMICAL COMPANY, LTD. (JP) 2017-01-03 US disclosed
EP-3106485-A1 POLYMER OR OLIGOMER, HOLE TRANSPORT MATERIAL COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT USING SAME Hitachi Chemical Co., Ltd. (JP) 2016-12-21 EP disclosed
US-9481826-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2016-11-01 US disclosed
US-20080116536-A1 ORGANIC HYBRID PLANAR-NANOCRYSTALLINE BULK HETEROJUNCTIONS ENERGY, UNITED STATES DEPARTMENT OF 2008-05-22 US disclosed
WO-2008038607-A1 ANTHRACENE DERIVATIVE, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-03 WO disclosed
US-7320834-B2 Organic light emitting diode containing a novel Ir complex as a phosphorescent emitter NATIONAL TSING HUA UNIVERSITY (TW) 2008-01-22 US disclosed
US-20070215868-A1 Organic Photovoltaic Cells Utilizing Ultrathin Sensitizing Layer UNITED STATES DEPARTMENT OF ENERGY 2007-09-20 US disclosed
US-20070141394-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX CHI MEI OPTOELECTRONICS CORP. (TW) 2007-06-21 US disclosed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US disclosed
US-7193088-B2 Iridium complexes as light emitting materials and organic light emitting diode device CHI MEI OPTOELECTRONICS (TW) 2007-03-20 US disclosed
US-20050227109-A1 Organic light emitting diode containing a novel Ir complex as a phosphorescent emitter CHIEN-HONG CHENG (TW) 2005-10-13 US disclosed
US-20050116626-A1 Iridium complexes as light emitting materials and organic light emitting diode device Innolux Corporation (TW) 2005-06-02 US disclosed
US-20010020819-A1 Light emitting element and production process thereof PIONEER CORPORATION 2001-09-13 US 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 (2 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-20050116626-A1 Iridium complexes as light emitting materials and organic light emitting diode device ORC3, CRY1, ITGA1 ALDH1A1 282/4885CDC25B 1829/4885TP53 4524/4885
US-10538698-B2 Electronic device comprising metal complexes OCIAD1, OCIAD2, OSTC ALDH1A1 1475/4885CDC25B 3175/4885TP53 4553/4885

“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.