SCHEMBL987802

SCHEMBL987802

COC1=C(c2c(C)cc(C)cc2C)C(=O)C(C(O)C2CCC(OCc3ccccc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.41
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ TACR1 P25103 5/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ OPRM1 P35372 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 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
SCHEMBL986617 0.85 ACHE (0.35) ACHE
SCHEMBL10276705 0.84 ACHE (0.40) ACHEPIK3CAMTORPRKDCTMEM97
SCHEMBL12239393 0.84 ACHE (0.42) ACHESIGMAR1HRH3BCHE
SCHEMBL983956 0.84 ACHE (0.34) ACHE
SCHEMBL12239389 0.80 ACHE (0.32) ACHE
SCHEMBL987558 0.80 HMGCR (0.35) ACHE
SCHEMBL12239435 0.73 PDE4A (0.32) ACHE
SCHEMBL988612 0.72 ACHE (0.32) ACHE
SCHEMBL14993571 0.70 ACHE (0.32) ACHE
SCHEMBL10327304 0.70 ELANE (0.33) ACHESIGMAR1HRH3BCHE

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 8 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
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 ACHE 31/4885PIK3CA 3765/4885MTOR 3441/4885

“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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