SCHEMBL9621494

SCHEMBL9621494

CC(=O)/C=C/C(C)CSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 9/20 0.42
▸ CTSL P07711 1/20 0.38
▸ NR4A1 P22736 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR4A3 Q92570 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35

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
SCHEMBL9621496 1.00 PPARD (0.42) PPARDCTSLNR4A1NR4A2NR4A3
SCHEMBL9621487 0.84 MTNR1A (0.38) CTSLCYP1A2PPARGCYP2C19MTNR1A
SCHEMBL9621484 0.84 MTNR1A (0.38) CTSLCYP1A2PPARGCYP2C19MTNR1A
SCHEMBL15944395 0.82 HPGD (0.43) MTNR1AMTNR1B
SCHEMBL14235160 0.81 ALDH1A1 (0.46) CTSL
SCHEMBL9621560 0.79 HRH3 (0.40) PPARDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16485029 0.78 PPARD (0.43) PPARDCYP1A2PPARACYP3A4CYP2D6
SCHEMBL16379338 0.75 PPARD (0.46) PPARDCYP1A2PPARACYP3A4CYP2D6
SCHEMBL9621469 0.74 PPARD (0.39) PPARDNR4A1NR4A2NR4A3CYP1A2
SCHEMBL9621466 0.74 PPARD (0.39) PPARDNR4A1NR4A2NR4A3CYP1A2

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
US-9414588-B2 Herbicide composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-16 — — US disclosed
EP-2713755-B1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2016-02-24 — — EP disclosed
US-20150289505-A1 HERBICIDE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 — — US disclosed
US-9101140-B2 Cyclohexanone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-11 — — US disclosed
US-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-14 — — US disclosed
WO-2012165648-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 — — WO disclosed
EP-0323915-B1 BETA-HYDROXYKETONE AND ITS PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-08 — — EP disclosed
US-5101076-A β-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-31 — — US disclosed
US-5041679-A Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 — — 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 (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-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, CBR1, CYP2S1 PPARD 2770/4885CTSL 3165/4885NR4A1 647/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 PPARD 455/4885CTSL 978/4885NR4A1 148/4885

“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.

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