SCHEMBL2489653

SCHEMBL2489653

O=C(O)c1ccc(CCC(CO)Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
FOLH1 Q04609 4/20 0.46
ALDH1A1 P00352 2/20 0.44
RARB P10826 6/20 0.44
PTGER4 P35408 2/20 0.41
PTGER2 P43116 2/20 0.41
MEN1 O00255 1/20 0.41
RARA P10276 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
ACACB O00763 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
SCHEMBL2160396 0.91 ALDH1A1 (0.48) ANPEPENPEPFOLH1ALDH1A1RARB
SCHEMBL3484562 0.84 RARB (0.43) FOLH1ALDH1A1RARBPTGER4PTGER2
SCHEMBL3484567 0.84 NR1H4 (0.41) ANPEPENPEPFOLH1ALDH1A1RARB
SCHEMBL20179189 0.81 ALDH1A1 (0.44) ANPEPENPEPFOLH1ALDH1A1PTGER4
SCHEMBL3022618 0.81 CYP4A11 (0.58) ALDH1A1MEN1MAPTKMT2ATSHR
Benzoic Acid SCHEMBL27530468 0.81 TSHR (0.50) ANPEPPTGER4PTGER2MEN1KMT2A
SCHEMBL28260261 0.80 RARB (0.54) ALDH1A1RARBMEN1RARAMAPT
SCHEMBL7547922 0.80 TRPA1 (0.48) ANPEPTSHR
SCHEMBL7547930 0.80 TRPA1 (0.48) ANPEPTSHR
SCHEMBL4668519 0.78 TSHR (0.39) FOLH1ALDH1A1RARBPTGER4PTGER2

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 10 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
US-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-8217063-B2 Lactam-substituted dicarboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-10 US disclosed
EP-2142504-B1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma AG (DE) 2011-10-26 EP disclosed
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US 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
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 (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-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF DDO, DDC, BCAT2 ANPEP 651/4885ENPEP 203/4885FOLH1 373/4885
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 ANPEP 2741/4885ENPEP 1072/4885FOLH1 1351/4885

“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.