SCHEMBL1584472

SCHEMBL1584472

Cc1ccccc1COc1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
KMT2A Q03164 1/20 0.52
APP P05067 9/20 0.52
ACHE P22303 1/20 0.49
FFAR1 O14842 2/20 0.48
KDM4E B2RXH2 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
SLC26A4 O43511 1/20 0.45

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
SCHEMBL10452980 0.85 MAOB (0.65) MAOBKMT2AACHEFFAR1KDM4E
SCHEMBL8264422 0.84 MAOB (0.64) MAOBKMT2AACHEFFAR1KDM4E
SCHEMBL10865258 0.83 MAOB (0.68) MAOBKMT2AACHEFFAR1KDM4E
Hydrochloric Acid SCHEMBL23235866 0.82 MAOB (0.62) MAOBKMT2AACHEFFAR1KDM4E
SCHEMBL11860320 0.81 MAOB (0.61) MAOBKMT2AACHEFFAR1KDM4E
SCHEMBL21340421 0.81 MAOB (0.61) MAOBKMT2AAPPACHEFFAR1
SCHEMBL28624803 0.81 MAOB (0.61) MAOBKMT2AAPPACHEFFAR1
SCHEMBL22874624 0.79 MAOB (0.58) MAOBKMT2AAPPACHEFFAR1
SCHEMBL23235776 0.79 MAOB (0.59) MAOBKMT2AACHEFFAR1KDM4E
SCHEMBL9558087 0.79 MAOB (0.58) MAOBKMT2AACHEFFAR1KDM4E

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 MAOB 4128/4885KMT2A 3563/4885APP 3947/4885

“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.