SCHEMBL10326958

SCHEMBL10326958

Cc1cc(C)c(C2=C(OC(=O)C(C)(C)C)CC(Cc3ccc(S(C)(=O)=O)cc3)C2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.33
▸ ELANE P08246 3/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ ABCB1 P08183 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GPR119 Q8TDV5 3/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL987301 0.87 ELANE (0.32) TBXA2RELANEABCB1MAPTKMT2A
SCHEMBL12948988 0.87 CYP26A1 (0.34) TBXA2RELANEABCB1
SCHEMBL10327013 0.86 L3MBTL1 (0.37) ELANEMAPTKMT2AALDH1A1LMNA
SCHEMBL10326979 0.86 ELANE (0.33) ELANEKDM4EALDH1A1LMNA
SCHEMBL12949064 0.85 CYP26A1 (0.37) ELANEMAPTKDM4E
SCHEMBL10326774 0.85 IDH1 (0.34) ELANEPPARA
SCHEMBL10326978 0.83 ALDH1A1 (0.38) TBXA2RABCB1ALDH1A1POLB
SCHEMBL10326957 0.82 ELANE (0.31) ELANE
SCHEMBL10327366 0.80 — —
SCHEMBL10326972 0.80 TBXA2R (0.38) TBXA2RELANEMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 — — US disclosed
US-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 — — US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 — — US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 — — US disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 — — 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 (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-20120178623-A1 NOVEL HERBICIDES DDT, CBR3, C9 TBXA2R 4701/4885ELANE 2327/4885PPARA 3513/4885

“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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