SCHEMBL9967724

SCHEMBL9967724

CC(C)/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.60
FBP1 P09467 1/20 0.53
MAOB P27338 5/20 0.49
P4HB P07237 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOA P21397 2/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.43

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
SCHEMBL18242242 0.81 NFE2L2 (0.54) NFE2L2FBP1MAOBP4HBMEN1
SCHEMBL9967782 0.81 NFE2L2 (0.37) NFE2L2FBP1MAPT
SCHEMBL30620000 0.79 NFE2L2 (0.66) NFE2L2FBP1MAOBP4HBMEN1
SCHEMBL2787109 0.79 NFE2L2 (0.66) NFE2L2FBP1MAOBP4HBMEN1
SCHEMBL2662410 0.79 NFE2L2 (0.66) NFE2L2FBP1MAOBP4HBMEN1
SCHEMBL11437739 0.79 NFE2L2 (0.66) NFE2L2FBP1MAOBP4HBMEN1
SCHEMBL13790316 0.79 NFE2L2 (0.82) NFE2L2FBP1MAOBP4HBMEN1
SCHEMBL29018208 0.79 NFE2L2 (0.49) NFE2L2FBP1MAOBP4HBMEN1
SCHEMBL9967779 0.78 MAPT (0.46) NFE2L2MEN1LMNAMAPTKMT2A
SCHEMBL18608302 0.78 NFE2L2 (0.69) NFE2L2FBP1MAOBP4HBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-7250533-B2 Process for preparing Cinacalcet hydrochloride TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2007-07-31 US disclosed
US-20070043243-A1 Process for preparing Cinacalcet hydrochloride TEVA PHARMACEUTICALS USA, INC. 2007-02-22 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 (3 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD NFE2L2 255/4885FBP1 108/4885MAOB 1900/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD NFE2L2 255/4885FBP1 108/4885MAOB 1900/4885
US-20070043243-A1 Process for preparing Cinacalcet hydrochloride SI, PRCP, CA9 NFE2L2 4160/4885FBP1 2546/4885MAOB 4840/4885

“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.