SCHEMBL4372499

SCHEMBL4372499

CCn1c2c(c3ccccc31)-c1ccccc1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 8/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 2/20 0.40
RCE1 Q9Y256 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.40
NSD2 O96028 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HBB P68871 1/20 0.40
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL19417447 0.84 KDR (0.35) ALDH1A1MAPK1KDRPOLBCYP1A2
SCHEMBL7117760 0.81 ADRA1D (0.43) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL7124714 0.79 GPR3 (0.45) ALDH1A1KDM4EMAPK1MAPTHSD17B10
SCHEMBL29371597 0.79 GPR3 (0.45) ALDH1A1KDM4EMAPK1MAPTHSD17B10
SCHEMBL15582430 0.77 MAPT (0.44) ALDH1A1KDM4ERAB9AMAPK1RCE1
SCHEMBL16978535 0.77 PGR (0.46) ALDH1A1KDM4EMAPK1RCE1MAPT
SCHEMBL17988837 0.76 PGR (0.43) ALDH1A1KDM4EMAPK1RCE1MAPT
SCHEMBL17806778 0.75 KDM4E (0.34) KDM4ERAB9AMAPTHSD17B10HPGD
SCHEMBL17567426 0.75 GSK3B (0.51) ALDH1A1KDM4ERAB9AMAPK1MAPT
SCHEMBL17734260 0.75 KDR (0.47) ALDH1A1KDM4ERAB9AKDRPGR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917906-B2 Compounds that can be used in an organic electronic device MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-20160133844-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-12 US disclosed
US-20160072077-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-10 US disclosed
EP-1533324-B1 A ligand for a metallocene catalyst used to prepare propylene based polymers, and its preparation method BASELL POLYOLEFINE GMBH (DE) 2009-05-06 EP disclosed
EP-1533324-A2 A ligand for a metallocene catalyst used to prepare propylene based polymers, and its preparation method Basell Polyolefine GmbH (DE) 2005-05-25 EP disclosed
EP-1159310-B1 PROCESS FOR PRODUCING SUBSTANTIALLY AMORPHOUS PROPYLENE-BASED POLYMERS BASELL POLYOLEFINE GMBH (DE) 2005-03-30 EP disclosed
US-6730754-B2 COORDINATION POLYMERIZATION CATALYST BASELL POLYOLEFINE GMBH (DE) 2004-05-04 US disclosed
US-20020147286-A1 Process for producing substantially amorphous propylene-based polymers EQUISTAR CHEMICALS, LP 2002-10-10 US disclosed
EP-1159310-A1 PROCESS FOR PRODUCING SUBSTANTIALLY AMORPHOUS PROPYLENE-BASED POLYMERS Basell Technology Company B.V. (NL) 2001-12-05 EP disclosed
WO-2001053360-A1 PROCESS FOR PRODUCING SUBSTANTIALLY AMORPHOUS PROPYLENE-BASED POLYMERS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-07-26 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 (3 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-11711976-B2 Compounds with an acceptor and a donor group NQO1, ICMT, NUDT1 ALDH1A1 242/4885KDM4E 2457/4885RAB9A 1767/4885
US-20020147286-A1 Process for producing substantially amorphous propylene-based polymers GRB7, CHRM1, CPNE4 ALDH1A1 4259/4885KDM4E 4193/4885RAB9A 3986/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 ALDH1A1 242/4885KDM4E 2457/4885RAB9A 1767/4885

“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.