SCHEMBL12101809

SCHEMBL12101809

Cc1cc(-c2ccccc2)cc(C)c1C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
BRD4 O60885 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGES O14684 1/20 0.35
PTGS2 P35354 4/20 0.34
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
TYMS P04818 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
DUSP3 P51452 1/20 0.32
P2RX7 Q99572 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL12101783 0.79 ALDH1A1 (0.36) HDAC4HDAC2HDAC8BRD4PTGS1
SCHEMBL812202 0.78 BRD4 (0.36) HDAC4HDAC2HDAC8BRD4PTGS2
SCHEMBL13042248 0.71 PTGS1 (0.36) PTGS1PTGS2ALDH1A1
SCHEMBL12129421 0.70 ACACB (0.43) ESR2
SCHEMBL12101720 0.69 MAOA (0.32) BRD4ALDH1A1MAPTDUSP3
SCHEMBL12129338 0.69 ACACB (0.51)
SCHEMBL12101725 0.68 MAOA (0.33) BRD4TYMSALDH1A1MAPTDUSP3
Phenol SCHEMBL28113826 0.66 MMP3 (0.50) PPARGPPARAESR2ALDH1A1MAPT
SCHEMBL1023493 0.65 PTPN1 (0.49) BRD4PTGS1PTGS2PTPN1PTPN2
SCHEMBL12129370 0.65 ACACB (0.42) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
EP-2222657-B1 PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES SYNGENTA LTD (GB) 2012-09-12 EP disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
WO-2009074314-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA LIMITED (GB) 2009-06-18 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-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES DDT, HPD, THOP1 HDAC4 1103/4885HDAC2 2152/4885HDAC8 1943/4885

“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.