SCHEMBL4633766

SCHEMBL4633766

CCCOc1ccc(C#Cc2ccccc2OC)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.49
NPC1 O15118 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTPN11 Q06124 2/20 0.45
ACACB O00763 3/20 0.44
ALDH1A1 P00352 3/20 0.44
PTGES O14684 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
PTK2B Q14289 1/20 0.42
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4633432 0.87 HNF4A (0.54) FFAR1NPC1CYP2C9RAB9ANPSR1
SCHEMBL4019340 0.81 FFAR1 (0.51) FFAR1PTGDR2ALDH1A1PTGESKDM4E
SCHEMBL4633401 0.79 HSP90AA1 (0.48) FFAR1NPC1CYP2C9RAB9ANPSR1
SCHEMBL9850686 0.77 ALDH1A1 (0.49) PTGDR2PTPN11ALDH1A1KMT2AHPGD
SCHEMBL23143181 0.76 HNF4A (0.63) FFAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL8599454 0.75 FFAR1 (0.49) FFAR1PTGDR2NPSR1ALDH1A1KDM4E
SCHEMBL5712942 0.74 HTT (0.57) FFAR1PTGDR2NPC1RAB9AALDH1A1
SCHEMBL31643582 0.74 ALDH1A1 (0.71) NPC1CYP2C9RAB9ANPSR1PTPN11
SCHEMBL124950 0.74 ALDH1A1 (0.71) NPC1CYP2C9RAB9ANPSR1PTPN11
SCHEMBL4632737 0.74 KDM4E (0.50) FFAR1PTGDR2CYP2C9ALDH1A1PTGES

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 6 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
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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 FFAR1 137/4885PTGDR2 221/4885NPC1 2711/4885

“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.