SCHEMBL6784332

SCHEMBL6784332

Cc1c(F)c(F)c(O)c(C(=O)O)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
TAS1R3 Q7RTX0 11/20 0.37
TAS1R1 Q7RTX1 10/20 0.37
TAS1R2 Q8TE23 10/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
MAPT P10636 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL6578763 0.85 TAS1R3 (0.42) LDHALDHBTAS1R3TAS1R1TAS1R2
SCHEMBL8374326 0.84 LDHA (0.39) LDHALDHBTAS1R3TAS1R1TAS1R2
SCHEMBL2470702 0.83 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5586912 0.82 LDHA (0.42) LDHALDHBTAS1R3TAS1R1TAS1R2
SCHEMBL11065626 0.82 CYP3A4 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2860749 0.81 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL1899129 0.80 MEN1 (0.37) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL31021584 0.80 DPP4 (0.36) LDHALDHBKMT2AGLRA3GLRB
SCHEMBL503607 0.80 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL545012 0.80 HCAR2 (0.41) LDHALDHBTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4406896-A ANTIBIOTICS, ACIDS, HYDROXY MERCK & CO., INC. (US) 1983-09-27 US claimed
EP-0031561-A2 A rectally administered suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1981-07-08 EP claimed
US-9851637-B2 Resist composition, method of forming resist pattern, compound, and acid diffusion control agent TOKYO OHKA KOGYO CO., LTD. (JP) 2017-12-26 US disclosed
US-9851637-B2 Resist composition, method of forming resist pattern, compound, and acid diffusion control agent TOKYO OHKA KOGYO CO., LTD. (JP) 2017-12-26 US disclosed
US-20170293223-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID DIFFUSION CONTROL AGENT TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-12 US disclosed
US-20170293223-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID DIFFUSION CONTROL AGENT TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-12 US disclosed
US-20170097564-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID DIFFUSION CONTROL AGENT TOKYO OHKA KOGYO CO., LTD. (JP) 2017-04-06 US disclosed
US-20170097564-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID DIFFUSION CONTROL AGENT TOKYO OHKA KOGYO CO., LTD. (JP) 2017-04-06 US disclosed
US-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
US-4910021-A Oral administered coated capsule for colonic absorption R. P. SCHERER CORPORATION (US) 1990-03-20 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 (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-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same EPX, CYP4X1, EPHX2 LDHA 3315/4885LDHB 3124/4885TAS1R3 3761/4885
US-20170097564-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID DIFFUSION CONTROL AGENT SLC11A2, DRD1, ZYX LDHA 114/4885LDHB 72/4885TAS1R3 4234/4885
US-20170293223-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID DIFFUSION CONTROL AGENT SLC11A2, DRD1, ZYX LDHA 124/4885LDHB 87/4885TAS1R3 4214/4885

“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.