SCHEMBL13378441

SCHEMBL13378441

O=C(O)CCCCN(CCc1cc2c(cc1OCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)CCCC2)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 7/20 0.43
RXRA P19793 6/20 0.43
RXRG P48443 6/20 0.43
PTPN1 P18031 3/20 0.40
PTPN2 P17706 2/20 0.40
PTPN6 P29350 2/20 0.40
GCGR P47871 2/20 0.39
GIPR P48546 2/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PPARD Q03181 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
S1PR1 P21453 1/20 0.37
ALOX5 P09917 1/20 0.36
PSEN1 P49768 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL2884330 0.88 RXRB (0.43) RXRBRXRARXRGNPC1RAB9A
SCHEMBL29382302 0.87 RXRA (0.46) RXRBRXRARXRGPTPN1PTPN2
SCHEMBL13009914 0.87 RXRA (0.46) RXRBRXRARXRGPTPN1PTPN2
SCHEMBL13378118 0.86 MRGPRX4 (0.46) RXRBRXRARXRGPTPN1PTPN2
SCHEMBL2884334 0.86 PTPN1 (0.36) RXRBRXRARXRGPTPN1PTPN2
SCHEMBL13009856 0.86 PTGER1 (0.49) RXRBRXRARXRGPTPN1PTPN2
SCHEMBL6701875 0.83 PPARD (0.45) RXRBRXRARXRGPTPN1PTPN2
SCHEMBL13009771 0.80 PTGER1 (0.48) RXRBRXRARXRGALOX5PSEN1
SCHEMBL5272235 0.80 FFAR1 (0.42) RXRBRXRARXRGS1PR3S1PR5
SCHEMBL14270629 0.79 FFAR1 (0.55) RXRAPPARDMRGPRX4ALOX5PPARA

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
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 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-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties ACMSD, AADAT, DDC RXRB 1579/4885RXRA 1299/4885RXRG 1768/4885

“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.