SCHEMBL169420

SCHEMBL169420

O=CCc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
KMT2A Q03164 1/20 0.44
POLQ O75417 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
DAO P14920 1/20 0.41
MAOB P27338 3/20 0.41
AR P10275 1/20 0.41
MAOA P21397 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL6862729 0.82 IDO1 (0.38) IDO1KMT2APOLQALDH1A1KDM4E
SCHEMBL23536723 0.82 CTSS (0.43) IDO1POLQALDH1A1KDM4EATM
SCHEMBL377351 0.82 AKR1B1 (0.43) IDO1
SCHEMBL13437613 0.81 P2RX7 (0.42)
SCHEMBL2360363 0.81 GABRA1 (0.41) IDO1POLQMAOBARMAOA
SCHEMBL5540185 0.80 IDO1 (0.52) IDO1KMT2APOLQALDH1A1KDM4E
SCHEMBL3630402 0.79 IDO1 (0.50) IDO1KMT2APOLQALDH1A1KDM4E
SCHEMBL14127341 0.79 IDO1 (0.50) IDO1KMT2APOLQALDH1A1KDM4E
SCHEMBL10808980 0.79 IDO1 (0.50) IDO1KMT2APOLQALDH1A1KDM4E
SCHEMBL7033667 0.79 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4457213-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) Psy Therapeutics, Inc. (US) 2024-11-06 EP disclosed
CN-115403459-B Preparation method of 1, 4-dicarbonyl compound 广州自远生物科技有限公司 2024-02-27 CN disclosed
WO-2023130023-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2023130050-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT AND MANAGEMENT OF PAIN PSY THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-112351983-A Substituted propionamides as inhibitors of nucleases 马萨里克大学 2021-02-09 CN disclosed
WO-2019201867-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
WO-2015075051-A1 ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C UNIVERSITAET DES SAARLANDES (DE) 2015-05-28 WO disclosed
US-6797842-B2 BY ASYMMETRICALLY REDUCING AN OPTICALLY ACTIVE IMINE, USING A HYDRIDE REDUCING AGENT TO CONVERT TO AN OPTICALLY ACTIVE SECONDARY AMINE, WHICH THEN UNDERGOES HYDROGENOLYSIS; HIGH OPTICAL PURITY, SIMPLE, EFFICIENT CENTRAL GLASS COMPANY, LIMITED (JP) 2004-09-28 US disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same CENTRAL GLASS COMPANY, LIMITED (JP) 2002-08-01 US disclosed
JP-2001302582-A METHOD FOR PRODUCING TRIFLUOROMETHYLPHENYLACETIC ACID CENTRAL GLASS CO LTD 2001-10-31 JP disclosed
US-5225602-A Catalytic rearrangement of phenyl-substituted epoxide BASF AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0228675-B1 NEW PHENYLACETALDEHYDES AND A PROCESS FOR THE PRODUCTION OF PHENYLACETALDEHYDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
EP-0228675-A2 New phenylacetaldehydes and a process for the production of phenylacetaldehydes BASF Aktiengesellschaft (DE) 1987-07-15 EP disclosed
US-4267359-A Novel carboxylic acid esters ZOECON CORPORATION (US) 1981-05-12 US disclosed
US-4204071-A 4-Aryl-3-butenoic acids and lower alkyl esters ZOECON CORPORATION (US) 1980-05-20 US disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 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-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same MAP2K5, MAP2K4, MAP2K1 IDO1 520/4885KMT2A 1866/4885POLQ 1835/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P IDO1 4753/4885KMT2A 3179/4885POLQ 4252/4885

“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.