SCHEMBL1584083

SCHEMBL1584083

Cc1ccccc1Cc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
KEAP1 Q14145 1/20 0.41
APP P05067 3/20 0.40
FFAR1 O14842 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AR P10275 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
SCHEMBL8095627 0.89 LTA4H (0.53) LTA4HTSHRACHETAAR1KEAP1
SCHEMBL2140995 0.82 CALM1 (0.57) LTA4HTSHRTAAR1KEAP1FFAR1
SCHEMBL6378299 0.82 POLB (0.51) LTA4HTSHRACHETAAR1KEAP1
SCHEMBL29940610 0.81 CALM1 (0.55) LTA4HTSHRACHETAAR1
SCHEMBL275838 0.81 CALM1 (0.55) LTA4HTSHRACHETAAR1
SCHEMBL9741301 0.81 CALM1 (0.55) LTA4HTSHRACHETAAR1
SCHEMBL10863097 0.79 CALM1 (0.52) LTA4HTSHRTAAR1
Hydrochloric Acid SCHEMBL21175607 0.79 CALM1 (0.52) LTA4HTSHRTAAR1
SCHEMBL27614158 0.79 CALM1 (0.52) LTA4HTSHRACHETAAR1
SCHEMBL14820047 0.78 ALDH1A1 (0.54) LTA4HTSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
CN-102639495-A Pyrrolidine GPR40 Modulators BRISTOL MYERS SQUIBB CO 2012-08-15 CN disclosed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 US 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-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 LTA4H 996/4885TSHR 924/4885ACHE 4717/4885

“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.