SCHEMBL6681553

SCHEMBL6681553

CCCc1ccc(C(F)(F)F)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
HMGCR P04035 1/20 0.43
MBOAT4 Q96T53 3/20 0.43
HTR2A P28223 3/20 0.41
HTR2C P28335 1/20 0.41
CETP P11597 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 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
SCHEMBL10235459 0.86 ANO1 (0.45) MBOAT4HTR2ACETPANO1SLC6A4
SCHEMBL18097672 0.85 MBOAT4 (0.42) MBOAT4HTR2AHTR2CANO1SLC6A4
SCHEMBL1569552 0.85 HTR2A (0.59) HTR2AHTR2C
SCHEMBL22265222 0.85 ANO1 (0.43) MBOAT4HTR2AHTR2CANO1SLC6A4
SCHEMBL40215 0.81 HTR2A (0.46) MBOAT4HTR2AHTR2CANO1SLC6A4
SCHEMBL16892265 0.81 MBOAT4 (0.46) MBOAT4HTR2AHTR2CANO1SLC6A4
SCHEMBL31321848 0.81 PDCD1 (0.46) PPARAMBOAT4HTR2AANO1SLC6A4
SCHEMBL6498758 0.81 PDCD1 (0.46) PPARAMBOAT4HTR2AANO1SLC6A4
SCHEMBL321002 0.81 ANO1 (0.44) MBOAT4HTR2AHTR2CANO1SLC6A4
SCHEMBL29673193 0.81 HTR2A (0.46) MBOAT4HTR2AHTR2CANO1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1290001-B1 PROCESS FOR THE SELECTIVE DEPROTONATION AND FUNCTIONALIZATION OF 3-SUBSTITUTED BENZOTRIFLUORIDES DOW AGROSCIENCES LLC (US) 2004-11-03 EP disclosed
US-6462240-B2 FROMING 2-LITHIOBENZOTRIFLORIDE FROM BENZOTRIFLUORIDE AND ALKYLLITHIUM DOW AGROSCIENCES LLC 2002-10-08 US disclosed
US-20020010375-A1 Process for the selective deprotonation and functionalization of 3-substituted benzotrifluorides CORTEVA AGRISCIENCE LLC 2002-01-24 US disclosed
US-6303814-B1 N-[1,2,4]triazoloazinyl) benzenesulfonamide and pyridinesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC 2001-10-16 US disclosed
EP-0877745-B1 N-( 1,2,4] TRIAZOLOAZINYL)BENZENESULFONAMIDE AND PYRIDINESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-25 EP disclosed
US-6130335-A N-([1,2,4]triazoloazinyl) benzenesulfonamide and pyridinesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-10-10 US disclosed
US-6005108-A POST-EMERGENCE TOTAL VEGETATION CONTROL OR SELECTIVE CONTROL OF WEEDS IN WHEAT, RICE AND OIL-SEED RAPE CROPS JOHNSON TIMOTHY C (US) 1999-12-21 US disclosed
US-5965490-A NOVEL COMPOUNDS WITH IMPROVED SELECTIVITY TO VALUABLE CROPS AND IMPROVED TOXICOLOGICAL AND ENVIRONMENTAL ATTRIBUTES; APPLYING TO CONTROL WEEDS BY EITHER PREEMERGENCE OR POSTEMERGENCE APPLICATION DOW AGROSCIENCES LLC (US) 1999-10-12 US disclosed
US-5858924-A N-( 1, 2, 4! triazoloazinyl) benzenesulfonamide and pyridinesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 1999-01-12 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 (1 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-20020010375-A1 Process for the selective deprotonation and functionalization of 3-substituted benzotrifluorides BPTF, FGFR2, FGFR4 PPARG 1124/4885PPARD 952/4885PPARA 843/4885

“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.