SCHEMBL3300301

SCHEMBL3300301

Fc1cccc([CH]c2cccc(F)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.71
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
PKM P14618 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
NPC1 O15118 1/20 0.62
CHRM5 P08912 1/20 0.62
GRM5 P41594 1/20 0.62
RAB9A P51151 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
PTGS1 P23219 3/20 0.54
PTGS2 P35354 1/20 0.54
NQO2 P16083 1/20 0.52
FBP1 P09467 1/20 0.50
RELA Q04206 1/20 0.48
IKBKB O14920 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL3298403 0.93 NFE2L2 (0.68) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240554 0.91 NFE2L2 (0.69) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240697 0.87 ACHE (0.64) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240567 0.87 NFE2L2 (0.56) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240598 0.85 NFE2L2 (0.72) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240610 0.85 NFE2L2 (0.54) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL700536 0.83 NFE2L2 (1.00) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL31317689 0.83 NFE2L2 (1.00) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL700537 0.83 NFE2L2 (1.00) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240789 0.82 NFE2L2 (0.80) NFE2L2NPC1CHRM5RAB9APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed
EP-2702041-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2014-03-05 EP claimed
US-8604015-B2 Alkaloid ester and carbamate derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-12-10 US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
WO-2012146515-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 WO claimed
US-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
EP-4400520-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER The University of Tokyo (JP) 2024-07-17 EP disclosed
CN-118176220-A Catalyst for olefin polymerization and process for producing olefin polymer 国立大学法人东京大学 2024-06-11 CN disclosed
WO-2023037849-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER 国立大学法人 東京大学 2023-03-16 WO disclosed
EP-2702041-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2014-03-05 EP disclosed
CN-102112474-B Quinuclidine carbonate derivatives and medicinal composition thereof CHIESI FARMA SPA 2014-01-29 CN disclosed
CN-103502213-A Alkaloid ester and carbamate derivatives and medicinal compositions thereof CHIESI FARMA SPA 2014-01-08 CN disclosed
US-8604015-B2 Alkaloid ester and carbamate derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-12-10 US disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
WO-2012146515-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 WO disclosed
US-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 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-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, BCHE, CHRM1 NFE2L2 3096/4885CYP1A2 606/4885CYP3A4 276/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 NFE2L2 3063/4885CYP1A2 3803/4885CYP3A4 2679/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 NFE2L2 3204/4885CYP1A2 2881/4885CYP3A4 1821/4885

“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.