SCHEMBL294823

SCHEMBL294823

CC[CH]c1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
PTGS2 P35354 1/20 0.41
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
NFE2L2 Q16236 3/20 0.33
BACE1 P56817 1/20 0.33
IDO1 P14902 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
THPO P40225 1/20 0.30
NPC1 O15118 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL14604967 0.77 PTGS1 (0.47) PTGS1PTGS2NFE2L2BACE1IDO1
SCHEMBL21457918 0.76 TRPA1 (0.44) NFE2L2CES2CES1
SCHEMBL27943446 0.76 PTGS1 (0.40) PTGS1PTGS2CA12CA1CA9
SCHEMBL16618839 0.75 NFE2L2 (0.60) PTGS1PTGS2NFE2L2CYP1A2CYP3A4
SCHEMBL8366212 0.74 IDO1 (0.39) PTGS1PTGS2CA12CA1CA9
SCHEMBL654529 0.72 NFE2L2 (0.48) NFE2L2CYP1A2
SCHEMBL18242209 0.72 ERN1 (0.33) CES2CES1
SCHEMBL28054555 0.72 TAAR1 (0.36) PTGS1PTGS2CYP1A2CYP2D6THPO
SCHEMBL28461869 0.72 PTGS1 (0.38) PTGS1PTGS2CA12CA1CA9
SCHEMBL294120 0.71 PTGS1 (0.44) PTGS1PTGS2CA12CA1CA9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110358445-B Composition for forming water-repellent film and water-repellent film 信越化学工业株式会社 2022-06-17 CN disclosed
US-11118072-B2 Water repellent film-forming composition and water repellent film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-09-14 US disclosed
EP-3553121-B1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM SHINETSU CHEMICAL CO (JP) 2021-06-09 EP disclosed
US-20190315972-A1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-17 US disclosed
EP-3553121-A1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM Shin-Etsu Chemical Co., Ltd. (JP) 2019-10-16 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
EP-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 EP disclosed
US-4857540-A 1-SUBSTITUTED-2-MERCAPTO-(OR AMINOMETHYL-)BENZAMIDAZOLE COMPOUNDS SMITHKLINE BECKMAN CORPORATION (US) 1989-08-15 US disclosed
US-4728741-A DOPAMINE BETA-HYDROXYLASE INHIBITOR SMITHKLINE BECKMAN CORPORATION (US) 1988-03-01 US disclosed
EP-0190817-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1986-08-13 EP 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-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 PTGS1 1551/4885PTGS2 2218/4885CA12 3345/4885

“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.