SCHEMBL2160458

SCHEMBL2160458

O=CC(CCc1ccc(C(=O)O)cc1)CCc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RARB P10826 6/20 0.46
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RARA P10276 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
FOLH1 Q04609 1/20 0.41
PPARA Q07869 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
SCHEMBL2494105 0.91 ANPEP (0.46) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL15569203 0.82 ALDH1A1 (0.44) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL3484851 0.80 RARB (0.42) ALDH1A1RARBTSHRKMT2AMEN1
SCHEMBL2160715 0.80 CYP4A11 (0.57) ALDH1A1TP53KMT2AMEN1MAPT
SCHEMBL9414680 0.79 MMP12 (0.54) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL7266310 0.78 ACE (0.47) ALDH1A1TSHRKMT2AMEN1HTT
SCHEMBL70166 0.77 TSHR (0.67) ALDH1A1RARBTSHRTP53KMT2A
Terephthalic Acid SCHEMBL4612225 0.77 TSHR (0.67) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL104594 0.77 GRIN2D (0.57) ALDH1A1RARBTSHRTP53KMT2A
SCHEMBL3484853 0.76 RXRA (0.43) ALDH1A1RARBKMT2AMEN1RARA

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.