SCHEMBL4633401

SCHEMBL4633401

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTPN11 Q06124 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PTPN1 P18031 1/20 0.43
HNF4A P41235 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 1/20 0.43
ADRB2 P07550 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
SCHEMBL4796662 0.93 HSP90AA1 (0.43) HSP90AA1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL4633432 0.88 HNF4A (0.54) SMN1; SMN2HTTALDH1A1CYP2C9NPSR1
SCHEMBL4633766 0.79 FFAR1 (0.52) SMN1; SMN2HTTALDH1A1CYP2C9NPSR1
SCHEMBL4041321 0.79 PTPN11 (0.47) ALDH1A1PTPN11KDM4EHNF4ALMNA
SCHEMBL14252060 0.79 PTPN11 (0.55) MAPTALDH1A1HPGDPTPN11KDM4E
SCHEMBL536427 0.77 MAPT (0.59) HSP90AA1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL15605662 0.77 TDP1 (0.48) HSP90AA1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL11328546 0.76 PLA2G2A (0.48) HSP90AA1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL24839525 0.76 HNF4A (0.59) MAPTALDH1A1HPGDPTPN11KDM4E
SCHEMBL8015091 0.76 HNF4A (0.59) MAPTALDH1A1HPGDPTPN11KDM4E

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 3 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 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 HSP90AA1 4775/4885MAPT 4236/4885SMN1; SMN2 3600/4885

“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.