SCHEMBL3934618

SCHEMBL3934618

C=CCOc1c(CC=C)cc(Br)cc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HTT P42858 3/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
PKM P14618 1/20 0.36
LIG1 P18858 1/20 0.36
PTPN1 P18031 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL3935495 0.82 KDM4E (0.39) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL7867138 0.77 NR4A2 (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL22750352 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL30021966 0.76 GAA (0.47) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL16088527 0.76 GAA (0.47) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL3933331 0.75 GAA (0.52) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL22750446 0.75 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL22750302 0.75 TSHR (0.44) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL20415950 0.75 BLM (0.45) SMN1; SMN2ALDH1A1KDM4EHTTHPGD
SCHEMBL12284365 0.73 L3MBTL1 (0.41) ALDH1A1KDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS 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
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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 (3 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 SMN1; SMN2 4132/4885ALDH1A1 3513/4885KDM4E 2247/4885
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 SMN1; SMN2 3740/4885ALDH1A1 2364/4885KDM4E 1974/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 SMN1; SMN2 2238/4885ALDH1A1 388/4885KDM4E 1126/4885

“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.