SCHEMBL12239206

SCHEMBL12239206

Cc1cc(C)c(C2=CCC(CC3CCOCC3)C2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ RIPK3 Q9Y572 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ BAZ2A Q9UIF9 1/20 0.31
▸ PRNP P04156 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ EED O75530 1/20 0.30
▸ RBBP4 Q09028 1/20 0.30
▸ SUZ12 Q15022 1/20 0.30
▸ EZH2 Q15910 1/20 0.30
▸ AEBP2 Q6ZN18 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
SCHEMBL16976196 0.77 DAO (0.32) DAONPC1RAB9ATP53CRHR1
SCHEMBL12239446 0.75 NPC1 (0.32) DAONPC1RAB9ATP53CRHR1
SCHEMBL12239386 0.74 ACHE (0.36) CRHR1
SCHEMBL19071288 0.72 CNR1 (0.34) —
SCHEMBL19071280 0.69 OPRL1 (0.33) —
SCHEMBL1652645 0.69 NPC1 (0.31) NPC1RAB9ATP53CRHR1BRD4
SCHEMBL12239427 0.69 MEN1 (0.32) NPC1RAB9A
SCHEMBL1652524 0.68 ELANE (0.37) NPC1RAB9A
SCHEMBL10207874 0.68 NR2F2 (0.31) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL10187588 0.68 DAO (0.31) DAONPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096560-B2 5-heterocyclylalkyl-3-hydroxy-2-phenylcyclopent-2-enones as herbicides SYNGENTA LIMITED (GB) 2015-08-04 — — US disclosed
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 DAO 635/4885NPC1 4661/4885RAB9A 3098/4885

“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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