SCHEMBL10187588

SCHEMBL10187588

Cc1cc(O)cc(C)c1C1=C(O)CC(CC2CCOCC2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.31
▸ CNR1 P21554 2/20 0.30
▸ CNR2 P34972 2/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL12239446 0.93 NPC1 (0.32) DAOCNR1CNR2NPC1RAB9A
SCHEMBL15001100 0.90 EZH2 (0.33) CNR1CNR2
SCHEMBL15001231 0.87 — —
SCHEMBL15001052 0.86 — —
SCHEMBL515998 0.86 ACHE (0.33) CNR1CNR2
SCHEMBL19070718 0.82 RIPK2 (0.36) CNR1CNR2CYP19A1NPC1RAB9A
SCHEMBL10187649 0.82 TTK (0.36) CNR1CNR2NPC1RAB9A
SCHEMBL16976196 0.80 DAO (0.32) DAONPC1RAB9A
SCHEMBL10187657 0.77 DRD1 (0.38) —
SCHEMBL19070272 0.76 CNR1 (0.34) CNR1CNR2CYP19A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 — — US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 — — US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 — — US disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 — — 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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 DAO 322/4885CNR1 935/4885CNR2 1209/4885

“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