SCHEMBL4037726

SCHEMBL4037726

C#Cc1cccc(C(=O)O)c1OC(C)C.c1cc2cc-2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
ALDH1A1 P00352 3/20 0.41
PTPN1 P18031 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CXCR5 P32302 1/20 0.36
RXRG P48443 1/20 0.35
SMO Q99835 1/20 0.35
KMO O15229 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
APAF1 O14727 1/20 0.34
RECQL P46063 1/20 0.34
CASP6 P55212 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL4041328 0.87 LMNA (0.38) RXRARXRBALDH1A1KDM4EHPGD
SCHEMBL4633434 0.79 PTPN11 (0.42) RXRARXRBACMSDMRGPRX4
SCHEMBL4487891 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1HPGDHSD17B10
SCHEMBL1927621 0.78 ACMSD (0.50) ALDH1A1ACMSDHPGDSMOKMO
SCHEMBL4431134 0.75 ACMSD (0.44) ALDH1A1PTPN1ACMSDHPGDSMO
SCHEMBL5152415 0.74 HNF4A (0.53) RXRARXRBALDH1A1KDM4EMAPK1
SCHEMBL3951042 0.73 TSHR (0.52) RXRARXRBALDH1A1KDM4EMAPK1
SCHEMBL383489 0.71 ALDH1A1 (0.62) ALDH1A1KDM4EMAPK1HPGDHSD17B10
SCHEMBL31311107 0.71 ALDH1A1 (0.48) RXRARXRBALDH1A1KDM4EMAPK1
SCHEMBL1818841 0.71 IRAK4 (0.54) RXRARXRBALDH1A1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP 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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 RXRA 1994/4885RXRB 2307/4885ALDH1A1 3116/4885
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 RXRA 3134/4885RXRB 3286/4885ALDH1A1 2416/4885

“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.