SCHEMBL12265069

SCHEMBL12265069

CCc1cc(C)cc(C)c1C1=C(OC)CC(C(O)C2CCOCC2)C1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 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
SCHEMBL12239435 0.78 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL1653644 0.70 ACHE (0.32) —
SCHEMBL12239200 0.63 ACHE (0.32) —
SCHEMBL14993571 0.63 ACHE (0.32) —
SCHEMBL12239414 0.62 CRHR1 (0.31) CRHR1
SCHEMBL986617 0.61 ACHE (0.35) —
SCHEMBL12134160 0.60 MAOA (0.32) —
SCHEMBL12239385 0.60 ELANE (0.34) —
SCHEMBL10207877 0.60 RORC (0.32) —
SCHEMBL15215672 0.60 RORC (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 — — 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 (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-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES DDT, CYP1B1, AHR CRHR1 3456/4885PDE4A 1637/4885PDE4B 1312/4885

“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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