SCHEMBL2160396

SCHEMBL2160396

O=C(O)c1ccc(CCC(CO)CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RARB P10826 6/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
RARA P10276 1/20 0.45
MTOR P42345 1/20 0.45
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
FOLH1 Q04609 1/20 0.42
PPARA Q07869 1/20 0.41
SRD5A2 P31213 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL2489653 0.91 ANPEP (0.47) ALDH1A1RARBTSHRTP53KMT2A
Benzoic Acid SCHEMBL27530468 0.85 TSHR (0.50) TSHRKMT2AMEN1ANPEPSRD5A2
SCHEMBL2655029 0.81 ALDH1A1 (0.50) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL15392359 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTSRD5A2
SCHEMBL9414680 0.80 MMP12 (0.54) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL3484562 0.80 RARB (0.43) ALDH1A1RARBTSHRKMT2AMEN1
SCHEMBL2160898 0.79 CYP4A11 (0.63) ALDH1A1TSHRTP53KMT2AMEN1
Terephthalic Acid SCHEMBL4612225 0.79 TSHR (0.67) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL70166 0.79 TSHR (0.67) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL104594 0.78 GRIN2D (0.57) ALDH1A1RARBTSHRTP53KMT2A

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-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
EP-2142504-B1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma AG (DE) 2011-10-26 EP 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
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

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-20100168240-A1 SUBSTITUTED DIBENZOIC ACID DERIVATIVES AND USE THEREOF BBOX1, DDC, DDT ALDH1A1 27/4885RARB 339/4885TSHR 3268/4885
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF DDO, DDC, BCAT2 ALDH1A1 1142/4885RARB 3401/4885TSHR 4696/4885

“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.