SCHEMBL6880437

SCHEMBL6880437

CONCc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
BLM P54132 1/20 0.44
PLEC Q15149 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AGXT P21549 2/20 0.43

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
SCHEMBL6077220 0.79 SMN1; SMN2 (0.50) CHRM2MEN1KMT2AALDH1A1KDM4E
SCHEMBL29196305 0.79 MEN1 (0.52) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL3971719 0.79 LMNA (0.52) CHRM2MEN1KMT2AGAAHPGD
SCHEMBL6076678 0.79 ALDH1A1 (0.57) CHRM2MEN1KMT2AALDH1A1MAPT
SCHEMBL8252 0.78 CYP3A4 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
Bromide SCHEMBL28406943 0.76 CYP3A4 (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6078476 0.76 NPC1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL16229089 0.76 IDO1 (0.43) CHRM2MEN1KMT2AALDH1A1MAPT
SCHEMBL12089982 0.76 L3MBTL1 (0.56) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20904245 0.76 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014141181-A1 PROCESS FOR PREPARING PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY NO 2 LIMITED (GB) 2014-09-18 WO disclosed
CN-1617849-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-05-18 CN disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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 (1 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-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 CHRM2 4645/4885MEN1 4365/4885KMT2A 646/4885

“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.