SCHEMBL4946530

SCHEMBL4946530

CC(C)(c1ccc(C=O)cc1)c1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.52
ALDH1A1 P00352 9/20 0.46
TYR P14679 1/20 0.46
CYP2A13 Q16696 1/20 0.46
HSD17B10 Q99714 2/20 0.46
ESR1 P03372 2/20 0.46
CYP3A4 P08684 2/20 0.46
ESR2 Q92731 2/20 0.46
AR P10275 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
ESRRG P62508 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL6854404 1.00 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL26703575 0.93 CYP2A6 (0.46) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL2143877 0.91 ALDH1A1 (0.54) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL19445615 0.89 ESR1 (0.67) CYP2A6ALDH1A1TYRHSD17B10ESR1
SCHEMBL6856797 0.87 ALDH1A1 (0.52) CYP2A6ALDH1A1TYRHPGDALDH1A3
SCHEMBL26703579 0.85 ALDH1A1 (0.50) CYP2A6ALDH1A1HSD17B10ESR1CYP3A4
SCHEMBL18854904 0.85 ALDH1A1 (0.73) CYP2A6ALDH1A1ESR1CYP3A4TSHR
SCHEMBL43060 0.84 EPHX2 (0.56) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL31433123 0.84 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL31433071 0.84 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-7453013-B2 Catalytic method for the production of carbonyl compounds WEYLCHEM FRANKFURT GMBH (DE) 2008-11-18 US disclosed
US-20080004474-A1 Catalytic method for the production of carbonyl compounds CLARIANT SPECIALTY FINE CHEMICALS (DEUTSCHLAND) GMBH (DE) 2008-01-03 US disclosed
US-7273954-B2 Catalytic method for the production of carbonyl compounds CLARIANT SPECIALITY FINE CHEMICALS (DEUTSCHLAND) GMBH (DE) 2007-09-25 US disclosed
EP-1560802-B1 CATALYTIC METHOD FOR THE PRODUCTION OF CARBONYL COMPOUNDS CLARIANT SPECIALITY FINE CHEMI (DE) 2007-04-18 EP disclosed
US-20060135817-A1 Catalytic method for the production of carbonyl compounds TEX-A-TEC AG (CH) 2006-06-22 US disclosed
EP-1560802-A1 CATALYTIC METHOD FOR THE PRODUCTION OF CARBONYL COMPOUNDS TEX-A-TEC AG (CH) 2005-08-10 EP disclosed
US-6780561-B2 FOR FORMING PROTECTIVE FILM OR AN INSULATING FILM FOR A SEMICONDUCTOR ELEMENT OR A CIRCUIT BOARD SUCH AS A PRINTED BOARD KANSAI PAINT CO., LTD. (JP) 2004-08-24 US disclosed
WO-2004043891-A1 CATALYTIC METHOD FOR THE PRODUCTION OF CARBONYL COMPOUNDS TEX-A-TEC AG (CH) 2004-05-27 WO disclosed
US-20030143480-A1 For forming protective film or an insulating film for a semiconductor element or a circuit board such as a printed board KANSAI PAINT CO., LTD. (JP) 2003-07-31 US disclosed
US-3948861-A Polyamide-imides from bis-imide and dialdoxime RHONE-POULENC S.A. (FR) 1976-04-06 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 (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-20080004474-A1 Catalytic method for the production of carbonyl compounds CAT, AOX1, SOD1 CYP2A6 453/4885ALDH1A1 61/4885TYR 220/4885
US-20060135817-A1 Catalytic method for the production of carbonyl compounds AOX1, CAT, AOC2 CYP2A6 514/4885ALDH1A1 59/4885TYR 143/4885

“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.