SCHEMBL4644485

SCHEMBL4644485

COC(=O)c1cc(C#Cc2ccccc2C)cc2c1OCC=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.37
FFAR4 Q5NUL3 2/20 0.35
CHRM2 P08172 1/20 0.35
S1PR1 P21453 1/20 0.35
FPR1 P21462 1/20 0.35
FPR3 P25089 1/20 0.35
GPR183 P32249 1/20 0.35
APLNR P35414 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
IKBKB O14920 1/20 0.34
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4642089 0.79 FFAR1 (0.42) FFAR1ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL4642069 0.71 KDM4E (0.36) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL27383030 0.71 TRPA1 (0.46) FFAR4ALDH1A1KDM4EHPGDNPC1
SCHEMBL4643649 0.66 KDM4E (0.41) KDM4EHPGD
SCHEMBL21003314 0.63 SMN1; SMN2 (0.36) ALDH1A1KDM4EHPGD
SCHEMBL27028859 0.63 KDM4E (0.49) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL70467 0.62 TSHR (0.59) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL22134881 0.62 FFAR1 (0.51) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL860542 0.62 NPC1 (0.62) FFAR1ALDH1A1KDM4EHPGDNPC1
SCHEMBL5567144 0.62 ABL1 (0.35) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 FFAR1 180/4885FFAR4 309/4885CHRM2 19/4885

“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.