SCHEMBL6358873

SCHEMBL6358873

COc1ccc(CBr)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ATM Q13315 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
AOC3 Q16853 1/20 0.39

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
SCHEMBL2239066 0.89 RXRA (0.37) CA2HCRTR1HCRTR2PPARGPPARD
SCHEMBL13073516 0.84 CA2 (0.50) CA2HCRTR1HCRTR2ATMKDM4E
SCHEMBL29559892 0.83 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL1080853 0.83 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL2714223 0.83 AR (0.50) CA2HCRTR1HCRTR2ATMKDM4E
SCHEMBL4550847 0.83 ATM (0.51) CA2HCRTR1HCRTR2ATMKDM4E
SCHEMBL2713113 0.83 TTR (0.51) CA2HCRTR1HCRTR2ATMKDM4E
Hydrochloric Acid SCHEMBL2713358 0.81 ATM (0.50) CA2HCRTR1HCRTR2ATMKDM4E
SCHEMBL15174299 0.80 ALDH1A1 (0.51) CA2HCRTR1HCRTR2ATMKDM4E
SCHEMBL6361965 0.79 CA2 (0.44) CA2HCRTR1HCRTR2ATMKDM4E

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-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 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-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 CA2 2223/4885HCRTR1 3/4885HCRTR2 13/4885

“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.