SCHEMBL6325445

SCHEMBL6325445

Cc1ccc(C#CC(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.47
FFAR1 O14842 5/20 0.46
ACACB O00763 1/20 0.41
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
GRM5 P41594 2/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL28499187 0.82 FFAR1 (0.47) FFAR1GRM5CES2CES1
SCHEMBL28500241 0.81 CES2 (0.45) FFAR1CES2CES1
SCHEMBL401353 0.80 NPSR1 (0.50) VCPFFAR1MAPTFFAR4CES1
SCHEMBL28506510 0.79 FFAR1 (0.49) VCPFFAR1GRM5FFAR4
SCHEMBL29961750 0.79 FFAR1 (0.49) VCPFFAR1GRM5FFAR4
SCHEMBL20089259 0.77 VCP (0.55) VCPFFAR1ACACBCA2CA12
SCHEMBL29062301 0.77 VCP (0.40) VCPFFAR1ACACBCA2CA12
SCHEMBL670335 0.75 VCP (0.58) VCPFFAR1ACACBCA2CA12
SCHEMBL12430908 0.75 VCP (0.53) VCPFFAR1ACACBCA2CA12
SCHEMBL14126185 0.74 VCP (0.52) VCPFFAR1ACACBCA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174877-B Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative 华侨大学 2022-07-29 CN claimed
CN-112174877-A Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative 华侨大学 2021-01-05 CN claimed
CN-117658910-A 3-amido quinoline structure-containing compound and synthesis method thereof 河南大学 2024-03-08 CN disclosed
CN-112174877-B Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative 华侨大学 2022-07-29 CN disclosed
CN-112174877-A Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative 华侨大学 2021-01-05 CN disclosed
US-20050209459-A1 Processes for the preparation of 1,5-diryl-3-substituted-pyrazoles REDDY M V R 2005-09-22 US disclosed
EP-1562947-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES Novartis AG (CH) 2005-08-17 EP disclosed
US-6906196-B2 Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles ONCONOVA THERAPEUTICS, INC. (US) 2005-06-14 US disclosed
EP-1436285-A4 PROCESSES FOR THE PREPARATION OF 1,5-DIARYL-3-SUBSTITUTED-PYRAZOLES ONCONOVA THERAPEUTICS INC (US) 2004-12-15 EP disclosed
EP-1436285-A2 PROCESSES FOR THE PREPARATION OF 1,5-DIARYL-3-SUBSTITUTED-PYRAZOLES Onconova Therapeutics, Inc. (US) 2004-07-14 EP disclosed
WO-2004043962-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2004-05-27 WO disclosed
US-6706927-B2 INTERMEDIATES IN PREPARATION OF 1,5-DIARYLPYRAZOLE ANTIINFLAMMATORY AGENTS ONCONOVA THERAPEUTICS, INC. 2004-03-16 US disclosed
US-20030199707-A1 ALKYNE KETONES ONCONOVA THERAPEUTICS, INC. 2003-10-23 US disclosed
US-6579988-B2 Condensation cyclization of an alkyne and a para-sulfone or sulfonamide phenyl hydrazine ONCONOVA THERAPEUTICS, INC. 2003-06-17 US disclosed
US-20030109709-A1 Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles ONCONOVA THERAPEUTICS, INC. 2003-06-12 US disclosed
US-20030096853-A1 PROCESSES FOR THE PREPARATION OF 1,5-DIARYLPYRAZOLES ONCONOVA THERAPEUTICS, INC. 2003-05-22 US disclosed
WO-2003024958-A2 PROCESSES FOR THE PREPARATION OF 1,5-DIARYL-3-SUBSTITUTED-PYRAZOLES ONCONOVA THERAPEUTICS, INC. (US) 2003-03-27 WO disclosed
WO-2003024400-A2 PROCESS FOR THE PREPARATION OF 1,5-DIARYLPYRAZOLES ONCONOVA THERAPEUTICS, INC. (US) 2003-03-27 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 (4 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-20050209459-A1 Processes for the preparation of 1,5-diryl-3-substituted-pyrazoles CYP2E1, CYP1A1, CYP1B1 VCP 3953/4885FFAR1 3367/4885ACACB 2051/4885
US-20030096853-A1 PROCESSES FOR THE PREPARATION OF 1,5-DIARYLPYRAZOLES CBR1, CYP1A1, CYP1B1 VCP 4702/4885FFAR1 1640/4885ACACB 3436/4885
US-20030199707-A1 ALKYNE KETONES CBR1, CBR3, CYC1 VCP 4794/4885FFAR1 254/4885ACACB 717/4885
US-20030109709-A1 Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles CYP1B1, CYP1A1, CYP2E1 VCP 4369/4885FFAR1 2544/4885ACACB 1095/4885

“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.