SCHEMBL4633434

SCHEMBL4633434

C#Cc1cccc(C(=O)O)c1OCCC.c1cc2cc-2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.42
KMT2A Q03164 1/20 0.42
MAPK8 P45983 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
CYP2C9 P11712 1/20 0.37
IDO1 P14902 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
DHODH Q02127 1/20 0.36
GSTA1 P08263 1/20 0.36
GSTP1 P09211 1/20 0.36
ACMSD Q8TDX5 1/20 0.35

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
SCHEMBL4633405 0.88 KDM4E (0.39) KMT2AGSTA1GSTP1
SCHEMBL4037726 0.79 RXRA (0.45) MRGPRX4RXRARXRBACMSD
SCHEMBL28423414 0.79 KMT2A (0.53) PTPN11KMT2AMAPK8PDE10A
SCHEMBL1927621 0.76 ACMSD (0.50) PTPN11KMT2ADHODHACMSD
SCHEMBL5149360 0.75 HNF4A (0.50) PTPN11KMT2AMAPK8PDE10ACYP2C9
SCHEMBL28329497 0.75 KMT2A (0.49) KMT2AMAPK8MRGPRX4
SCHEMBL4606062 0.74 ALDH1A1 (0.41) KMT2A
SCHEMBL7910845 0.74 MCL1 (0.47) DHODH
SCHEMBL4431134 0.73 ACMSD (0.44) PTPN11KMT2AMRGPRX4ACMSD
SCHEMBL810987 0.73 KMT2A (0.51) PTPN11KMT2A

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 PTPN11 3121/4885KMT2A 715/4885MAPK8 4098/4885

“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.