SCHEMBL10185702

SCHEMBL10185702

COCCCOc1cc(Br)cc(OC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CBFB Q13951 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
PGR P06401 1/20 0.33
CHRM5 P08912 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2C P28335 1/20 0.32
PIM1 P11309 1/20 0.32
FFAR4 Q5NUL3 3/20 0.32
FFAR1 O14842 2/20 0.32
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
CYP2C9 P11712 1/20 0.31
SCN5A Q14524 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL10181841 0.84 ALDH1A1 (0.40) KDM4ECBFBCYP1A2CYP2D6MAPK1
SCHEMBL19616829 0.83 PGR (0.34) PGRHTR2CPIM1NOTUM
SCHEMBL24884698 0.82 KDM4E (0.43) KDM4ECYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL425611 0.81 ALDH1A1 (0.42) KDM4ECYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL10185696 0.80 ALDH1A1 (0.41) KDM4ECBFBCYP1A2CYP2D6MAPK1
SCHEMBL16492992 0.80 FFAR4 (0.38) PGRPIM1FFAR4FFAR1CYP2C9
SCHEMBL18833782 0.79 CYP1A2 (0.53) KDM4ECBFBCYP1A2CYP2D6MAPK1
SCHEMBL27377031 0.79 CHRM2 (0.34) KDM4ECBFBPGRTDP1HTR2C
SCHEMBL12160006 0.78 PGR (0.39) PGRHTR2CCA1CA2CA7
SCHEMBL15417945 0.78 KDM4E (0.39) KDM4ECYP1A2CYP2D6MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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 (2 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-20110263560-A1 Organic Compounds REN, ACE, OTC KDM4E 1140/4885CBFB 3627/4885CYP1A2 344/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO KDM4E 2265/4885CBFB 3481/4885CYP1A2 427/4885

“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.