SCHEMBL4640443

SCHEMBL4640443

CCC(C)OC(=O)C(Cc1c[nH]c2c(F)cc(F)cc12)(NC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
TACR1 P25103 2/20 0.32
TNF P01375 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
NOTUM Q6P988 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL4642372 0.86 GPR84 (0.50) GPR84TACR1TNFALDH1A1LMNA
SCHEMBL4640366 0.81 ALDH1A1 (0.46) GPR84ALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL4240366 0.76 GPR84 (0.37) GPR84TACR1ALDH1A1RECQL
SCHEMBL4234106 0.76 GPR84 (0.39) GPR84TACR1ALDH1A1RECQL
SCHEMBL837254 0.75 MPO (0.40) GPR84TACR1ALDH1A1LMNA
SCHEMBL5365453 0.74 ALDH1A1 (0.42) TACR1ALDH1A1RECQL
SCHEMBL5359741 0.72 ALDH1A1 (0.43) ALDH1A1LMNARECQL
SCHEMBL5361416 0.72 ALDH1A1 (0.43) ALDH1A1RECQL
SCHEMBL4236247 0.72 ALDH1A1 (0.34) ALDH1A1MTNR1AMTNR1BRECQL
SCHEMBL2036829 0.71 LRRK2 (0.34) ALDH1A1MTNR1ARECQL

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 2 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

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 GPR84 304/4885TACR1 101/4885TNF 1517/4885

“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.