SCHEMBL4633432

SCHEMBL4633432

CCCOc1ccc(C#Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.54
PTPN11 Q06124 5/20 0.50
ALDH1A1 P00352 2/20 0.47
S1PR3 Q99500 1/20 0.46
KMT2A Q03164 3/20 0.44
FFAR1 O14842 2/20 0.44
PTK2B Q14289 1/20 0.44
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE10A Q9Y233 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL4633401 0.88 HSP90AA1 (0.48) HNF4APTPN11ALDH1A1KMT2AFFAR1
SCHEMBL4633766 0.87 FFAR1 (0.52) PTPN11ALDH1A1KMT2AFFAR1PTK2B
SCHEMBL9850686 0.83 ALDH1A1 (0.49) PTPN11ALDH1A1S1PR3KMT2APTPN1
SCHEMBL23143181 0.82 HNF4A (0.63) HNF4AALDH1A1FFAR1AKR1C2AKR1C1
SCHEMBL4796662 0.82 HSP90AA1 (0.43) HNF4APTPN11ALDH1A1KMT2ANPC1
SCHEMBL18628715 0.80 ALDH1A1 (0.58) HNF4AALDH1A1FFAR1AKR1C2AKR1C1
SCHEMBL4601658 0.78 PTPN11 (0.67) HNF4APTPN11ALDH1A1S1PR3KMT2A
SCHEMBL4037723 0.77 HNF4A (0.56) HNF4AALDH1A1FFAR1AKR1C2AKR1C1
SCHEMBL31643582 0.77 ALDH1A1 (0.71) PTPN11ALDH1A1KMT2APTK2BNPC1
SCHEMBL124950 0.77 ALDH1A1 (0.71) PTPN11ALDH1A1KMT2APTK2BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US claimed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP claimed
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 (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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 HNF4A 3244/4885PTPN11 3121/4885ALDH1A1 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.