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SCHEMBL4028192

SCHEMBL4028192

CC(C)(C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.53
▸ CES2 O00748 1/20 0.52
▸ TACR1 P25103 3/20 0.47
▸ RXRA P19793 3/20 0.46
▸ RXRB P28702 3/20 0.46
▸ RXRG P48443 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40

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
Hydrochloric Acid SCHEMBL5756823 0.98 APP (0.51) APPCES2TACR1RXRARXRB
SCHEMBL25173356 0.92 APP (0.51) APPCES2TACR1RXRARXRB
SCHEMBL1626915 0.84 APP (0.55) APPCES2MAPTLMNAP2RX1
SCHEMBL31446013 0.82 APP (0.46) APPCES2TACR1RXRARXRB
SCHEMBL531511 0.82 CES2 (0.52) APPCES2TACR1RXRARXRB
SCHEMBL1626471 0.82 APP (0.62) APPCES2MAPTLMNAALDH1A1
SCHEMBL18118900 0.81 TACR1 (0.54) APPCES2TACR1MAPT
SCHEMBL531409 0.80 CES2 (0.50) APPCES2TACR1RXRARXRB
SCHEMBL1202442 0.80 CES2 (0.50) CES2TACR1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL4031527 0.78 MAPT (0.50) APPCES2TACR1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942406-B Preparation method of 2- (3, 5-bis-trifluoromethyl-phenyl) -2-methyl-propionic acid 上海天慈国际药业有限公司 2022-11-01 — — CN claimed
CN-110283066-A It is a kind of how smooth intermediate 2-(3,5- bis- (trifluoromethyl) phenyl of appropriate pyrrole) -2 Methylpropionic acid synthetic method 青岛君之道生物技术有限公司 2019-09-27 — — CN claimed
CN-105601495-B It is a kind of how the synthetic method of the smooth intermediate of appropriate pyrrole 合肥利夫生物科技有限公司 2018-05-29 — — CN claimed
CN-107721815-A The preparation method of one kind 2 (3,5 2 (trifluoromethyl) phenyl) 2 methylpropanoic acids of synthesis 爱斯特（成都）生物制药股份有限公司 2018-02-23 — — CN claimed
CN-105541594-B It is a kind of how the synthetic method of the smooth intermediate 2 of appropriate pyrrole (3,5 bis trifluoromethyl phenyl) 2 methylpropanoic acids 合肥利夫生物科技有限公司 2017-07-28 — — CN claimed
CN-105541593-B A kind of synthetic method of pharmaceutical intermediate 合肥利夫生物科技有限公司 2017-07-28 — — CN claimed
EP-1368295-B1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 — — EP claimed
CN-105601495-A Synthesis method of netupitant intermediates HEFEI LEAF BIO-TECH CO LTD 2016-05-25 — — CN claimed
CN-105541594-A Synthetic method for netupitant intermediate 2-(3,5-bistrifluoromethylphenyl)-2-methyl propionate HEFEI LIFU BIOTECHNOLOGY CO LTD 2016-05-04 — — CN claimed
CN-105541593-A Method for synthesizing drug intermediate HEFEI LIFU BIOTECHNOLOGY CO LTD 2016-05-04 — — CN claimed
EP-1368295-A1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES F. Hoffman-la Roche AG (CH) 2003-12-10 — — EP claimed
US-6531597-B2 Reacting a halo substituted benzene with a ketone to form a hydroxyalkyl benzene that is carbonylated with a strong acid HOFFMANN-LA ROCHE INC. 2003-03-11 — — US claimed
US-20020156313-A1 Process for preparation of 2-phenyl acetic acid derivatives HOFFMANN-LA ROCHE INC. 2002-10-24 — — US claimed
WO-2002079134-A1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2002-10-10 — — WO claimed
CN-112979543-B Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2024-09-24 — — CN disclosed
EP-4431512-A1 NOVEL DUAL NK-1/NK-3 RECEPTOR ANTAGONISTS Bayer Consumer Care AG (CH) 2024-09-18 — — EP disclosed
US-12071421-B2 Process for the synthesis of substituted chloromethyl dialkylphosphates HELSINN HEALTHCARE SA (CH) 2024-08-27 — — US disclosed
WO-2001087866-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 — — WO disclosed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 — — WO disclosed
WO-2000050398-A2 PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-31 — — WO 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-20020156313-A1 Process for preparation of 2-phenyl acetic acid derivatives ALDH1A1, UGT1A1, PAH APP 700/4885CES2 1802/4885TACR1 2013/4885
US-12071421-B2 Process for the synthesis of substituted chloromethyl dialkylphosphates BDKRB1, BDKRB2, TK1 APP 3832/4885CES2 1669/4885TACR1 11/4885

“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.