SCHEMBL3945780

SCHEMBL3945780

O=C(O)CCCC#Cc1cc2c(c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c1)OCCCC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.37
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SNCA P37840 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ITGB2 P05107 6/20 0.36
ICAM1 P05362 6/20 0.36
ITGAL P20701 6/20 0.36
HTR1A P08908 1/20 0.35
SLC6A4 P31645 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
SCHEMBL13902872 0.93 ECE1 (0.38) ECE1USP2MAPK1ALDH1A1SNCA
SCHEMBL13902881 0.92 MEN1 (0.37) ECE1USP2MAPK1ALDH1A1SNCA
SCHEMBL3939933 0.92 SNCA (0.38) ECE1USP2MAPK1SNCAITGB2
SCHEMBL13902874 0.92 ECE1 (0.37) ECE1USP2MAPK1ALDH1A1SNCA
SCHEMBL13960316 0.92 ECE1 (0.39) ECE1USP2MAPK1ALDH1A1SNCA
SCHEMBL13962345 0.92 ECE1 (0.39) ECE1USP2MAPK1ALDH1A1SNCA
SCHEMBL13960314 0.92 ECE1 (0.39) ECE1USP2MAPK1ALDH1A1SNCA
SCHEMBL13902875 0.92 ECE1 (0.39) ECE1USP2MAPK1ALDH1A1SNCA
SCHEMBL13902870 0.91 ECE1 (0.40) ECE1USP2MAPK1ALDH1A1SNCA
SCHEMBL13902864 0.91 ECE1 (0.40) ECE1USP2MAPK1ALDH1A1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US claimed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP claimed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 ECE1 1561/4885USP2 2589/4885MAPK1 3786/4885

“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.