SCHEMBL4633405

SCHEMBL4633405

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G2A P14555 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4633434 0.88 PTPN11 (0.42) KMT2AGSTA1GSTP1
SCHEMBL7489211 0.81 ALDH1A1 (0.44) KDM4ECYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL1926587 0.80 LMNA (0.46) KDM4EALDH1A1KMT2AGAAPOLB
SCHEMBL4041328 0.80 LMNA (0.38) KDM4EALDH1A1KMT2AGAAPOLB
SCHEMBL16720410 0.77 SLC6A3 (0.42) KDM4ECYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL16719439 0.77 SLC6A3 (0.41) KDM4EALDH1A1KMT2AGAAPOLB
SCHEMBL1926643 0.77 ALDH1A1 (0.40) KDM4ESMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL1926846 0.77 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AGAAPOLB
SCHEMBL2747145 0.74 LMNA (0.44) KDM4EALDH1A1KMT2AGAAPOLB
SCHEMBL28329493 0.73 PDE4D (0.44) KDM4ECYP1A2CYP2C19SMN1; SMN2ALDH1A1

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 KDM4E 1229/4885CYP1A2 428/4885CYP2C19 727/4885

“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.