SCHEMBL3631479

SCHEMBL3631479

Oc1ccc(F)cc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RECQL P46063 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
HPGD P15428 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
MPO P05164 3/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13885858 0.82 EGFR (0.42) CA9CA14MEN1KMT2AHPGD
SCHEMBL6635805 0.79 ALDH1A1 (0.50) CA9MEN1KMT2AANO1HPGD
SCHEMBL4547674 0.77 HSPA5 (0.50) CA9HIF1AHSD17B10MPOKDM4E
Bromide SCHEMBL28018020 0.76 HSPA5 (0.48) CA9HIF1AHSD17B10MPOKDM4E
SCHEMBL7006358 0.76 HTR2A (0.43) MEN1KMT2AALDH1A1LMNAHTR2A
Bromide SCHEMBL15266090 0.76 HMGCR (0.47) MEN1KMT2ARECQLHPGDHSD17B10
SCHEMBL13885864 0.75 ALOX5 (0.55) MEN1KMT2ACYP3A4ALOX15ALOX5
SCHEMBL19542562 0.73 PLA2G2A (0.46) MEN1KMT2AHPGDHIF1AKDM4E
SCHEMBL3631352 0.73 GPR35 (0.50) MEN1KMT2AHPGDALDH1A1
SCHEMBL13885884 0.73 AKR1B1 (0.35) HPGDHSD17B10ALOX15KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-2142495-B1 SUBSTITUTED DIBENZOIC ACID DERIVATIVES AND USE THEREOF BAYER IP GMBH (DE) 2016-04-27 EP disclosed
US-8217063-B2 Lactam-substituted dicarboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-10 US disclosed
US-7985876-B2 Substituted dibenzoic acid derivatives and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-26 US disclosed
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100168240-A1 SUBSTITUTED DIBENZOIC ACID DERIVATIVES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-01 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
EP-2142495-A1 SUBSTITUTED DIBENZOIC ACID DERIVATIVES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-01-13 EP disclosed
EP-2142504-A2 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF Bayer Schering Pharma AG (DE) 2010-01-13 EP disclosed
WO-2008119457-A2 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-09 WO disclosed
WO-2008119458-A1 SUBSTITUTED DIBENZOIC ACID DERIVATIVES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-09 WO disclosed
EP-1940769-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 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-20100168240-A1 SUBSTITUTED DIBENZOIC ACID DERIVATIVES AND USE THEREOF BBOX1, DDC, DDT MAOB 29/4885CA3 3118/4885CA6 671/4885
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF DDO, DDC, BCAT2 MAOB 2181/4885CA3 2149/4885CA6 793/4885
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 MAOB 1969/4885CA3 1225/4885CA6 862/4885

“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.