SCHEMBL9947015

SCHEMBL9947015

CC(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
TAAR1 Q96RJ0 5/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
MAOA P21397 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
SLC18A2 Q05940 1/20 0.48
CYP2D6 P10635 1/20 0.48
TRPA1 O75762 2/20 0.47
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL14032619 0.78 ESR1 (0.58) TAAR1SLC6A2
SCHEMBL22125029 0.78 SLC6A2 (0.55) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11132609 0.77 ANPEP (0.49)
SCHEMBL6236707 0.77 FDPS (0.47) CYP2D6TDP1
SCHEMBL3238111 0.76 EPHX1 (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1684243 0.76 TAAR1 (0.56) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8380077 0.76 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL16034061 0.74 EPHX1 (0.46) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL17710411 0.74 TAAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1099438 0.74 TRPA1 (0.46) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58154523-A None JP disclosed
JP-58124740-A None JP disclosed
WO-2023080132-A1 ARALKYL RESIN, DILUENT FOR EPOXY RESIN, CURABLE RESIN COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ELECTRONIC DEVICE, AND ARALKYL RESIN PRODUCTION METHOD セントラル硝子株式会社 2023-05-11 WO disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-4567293-A ANTIINFLAMMATORY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-01-28 US disclosed
JP-S58154523-A 2-TRIFLUOROMETHYLPROPYLBENZENE DERIVATIVE AND ANALGESIC AND ANTIPHLOGISTIC AGENT CONTAINING THE SAME CENTRAL GLASS CO LTD 1983-09-14 JP disclosed
JP-S58124740-A 2-(P-(2-TRIFLUOROMETHYLPROPYL)PHENYL)PROPIONIC ACID OR ITS SALT, AND ANTIPHLOGISTIC CONTAINING IT KUREHA CHEM IND CO LTD 1983-07-25 JP 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-20120309755-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES SIGMAR1 577/4885TAAR1 634/4885SLC6A2 4659/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT SIGMAR1 3282/4885TAAR1 2638/4885SLC6A2 4041/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT SIGMAR1 3282/4885TAAR1 2638/4885SLC6A2 4041/4885

“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.