SCHEMBL987558

SCHEMBL987558

COC1=C(c2c(C)cc(C)cc2C)C(=O)C(C(O)C2CCCCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ TAS1R2 Q8TE23 2/20 0.34
▸ ACHE P22303 4/20 0.33
▸ EPHX2 P34913 2/20 0.31
▸ SLC6A3 Q01959 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CASP1 P29466 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
SCHEMBL986617 0.94 ACHE (0.35) ACHE
SCHEMBL988612 0.91 ACHE (0.32) ACHE
SCHEMBL1653644 0.88 ACHE (0.32) ACHE
SCHEMBL983956 0.88 ACHE (0.34) ACHE
SCHEMBL12239389 0.88 ACHE (0.32) ACHE
SCHEMBL12239435 0.81 PDE4A (0.32) ACHE
SCHEMBL12239393 0.81 ACHE (0.42) ACHESLC6A3
SCHEMBL987802 0.80 ACHE (0.41) ACHE
SCHEMBL14993571 0.80 ACHE (0.32) ACHE
SCHEMBL12239421 0.79 EED (0.39) EPHX2

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-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 — — US disclosed
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
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 — — US disclosed
EP-2454223-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES Syngenta Limited (GB) 2012-05-23 — — EP disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 — — WO 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 HMGCR 2915/4885TAS1R3 3625/4885TAS1R1 3853/4885

“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.

Send feedback