SCHEMBL4735110

SCHEMBL4735110

COc1ccccc1C#Cc1cc2c(c(C(=O)O)c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
FFAR1 O14842 1/20 0.45
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PTGES O14684 1/20 0.39
PLK1 P53350 1/20 0.39
LMNA P02545 1/20 0.38

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) FFAR1KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4632737 0.75 KDM4E (0.50) FFAR1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5712942 0.73 HTT (0.57) FFAR1MAPTNPC1TSHRRAB9A
SCHEMBL4019340 0.71 FFAR1 (0.51) FFAR1TSHRKDM4EALDH1A1L3MBTL1
SCHEMBL4634246 0.70 SLC16A3 (0.51) FFAR1TP53RAB9AKDM4EALDH1A1
SCHEMBL13315482 0.70 XDH (0.49) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4633766 0.70 FFAR1 (0.52) FFAR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4640431 0.69 KDM4E (0.56) CTNNB1WNT3ATP53MAPTSMN1; SMN2
SCHEMBL6511422 0.69 FFAR1 (0.64) FFAR1L3MBTL1MEN1KMT2APTGDR2
SCHEMBL2774016 0.68 FFAR1 (0.60) FFAR1MAPTSMN1; SMN2NPC1RAB9A

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 4 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 claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US 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 CTNNB1 4751/4885WNT3A 820/4885FFAR1 180/4885

“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.