SCHEMBL12239396

SCHEMBL12239396

Cc1cc(C)c(C2=C(OC(=O)C3CCCCC3)CC(CC3CCOC3)C2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.32
▸ HPGD P15428 4/20 0.32
▸ HTT P42858 4/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ CETP P11597 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ ESR1 P03372 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
SCHEMBL12239395 0.95 FFAR1 (0.32) FFAR1
SCHEMBL12239401 0.85 FFAR1 (0.32) KMT2AHPGDMEN1LMNAFFAR1
SCHEMBL12239411 0.85 TSHR (0.34) KMT2AHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12239412 0.85 FFAR1 (0.31) FFAR1
SCHEMBL12239394 0.85 FFAR1 (0.32) FFAR1
SCHEMBL12239388 0.85 ELANE (0.34) FFAR1
SCHEMBL12239403 0.85 FFAR1 (0.32) KMT2AFFAR1
SCHEMBL12239413 0.83 FFAR1 (0.31) FFAR1
SCHEMBL12239400 0.82 FFAR1 (0.35) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL12239402 0.82 KDM4E (0.33) KDM4ELMNAFFAR1MAPT

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
EP-2313370-B1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA LTD (GB) 2015-08-19 — — EP disclosed
US-9096560-B2 5-heterocyclylalkyl-3-hydroxy-2-phenylcyclopent-2-enones as herbicides SYNGENTA LIMITED (GB) 2015-08-04 — — US disclosed
US-9096560-B2 5-heterocyclylalkyl-3-hydroxy-2-phenylcyclopent-2-enones as herbicides SYNGENTA LIMITED (GB) 2015-08-04 — — US disclosed
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA LIMITED (GB) 2013-02-28 — — US disclosed
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA LIMITED (GB) 2013-02-28 — — 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
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 — — US disclosed
WO-2011073060-A2 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2011-06-23 — — WO disclosed
WO-2010000773-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA LIMITED (GB) 2010-01-07 — — 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 (2 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 KMT2A 745/4885HPGD 733/4885HTT 24/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 KMT2A 2336/4885HPGD 3757/4885HTT 1433/4885

“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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