SCHEMBL5300504

SCHEMBL5300504

CCc1ccc(C(C)=O)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.46
CA12 O43570 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKCI P41743 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3297206 0.83 GABRP (0.43) SMN1; SMN2TSHRHSD17B10GABRA1GABRB2
SCHEMBL13862488 0.81 GABRA1 (0.46) HSD17B1SMN1; SMN2TSHRHSD17B10PPARG
SCHEMBL28184235 0.78 GABRA1 (0.41) MAPTGABRA1GABRB2ALDH1A1
SCHEMBL3117998 0.75 CYP1A2 (0.48) SMN1; SMN2TDP1TSHRHSD17B10GABRA1
SCHEMBL7177477 0.75 SMN1; SMN2 (0.39) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL4777676 0.73 MAPT (0.47) HSD17B1SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL28690580 0.72 CNR2 (0.35) HSD17B1CA12SMN1; SMN2MAPTTSHR
SCHEMBL9217873 0.72 HSD17B1 (0.58) HSD17B1SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL4677431 0.72 HSD17B1 (0.44) HSD17B1SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL27075327 0.72 CLCN2 (0.36) HSD17B1MAPTCYP2C9TSHRALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US claimed
US-11317649-B2 Material for inclusion in a smoking article BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2022-05-03 US disclosed
US-11246335-B2 Material for inclusion in a smoking article BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2022-02-15 US disclosed
US-20200359673-A1 Material for Inclusion in a Smoking Article BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2020-11-19 US disclosed
EP-3737247-A1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE British American Tobacco (Investments) Limited (GB) 2020-11-18 EP disclosed
US-10765141-B2 Material for inclusion in a smoking article BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2020-09-08 US disclosed
CN-105357990-B Material for inclusion in a smoking article 英美烟草(投资)有限公司 2020-03-31 CN disclosed
US-10271573-B2 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2019-04-30 US disclosed
EP-3242568-B1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE BRITISH AMERICAN TOBACCO INVESTMENTS LTD (GB) 2018-10-31 EP disclosed
EP-3242567-B1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE BRITISH AMERICAN TOBACCO INVESTMENTS LTD (GB) 2018-10-17 EP disclosed
EP-3242568-A1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE British American Tobacco (Investments) Ltd (GB) 2017-11-15 EP disclosed
EP-3242567-A1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE British American Tobacco (Investments) Ltd (GB) 2017-11-15 EP disclosed
US-20160219926-A1 Material for Inclusion in a Smoking Article BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2016-08-04 US disclosed
WO-2016110689-A1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2016-07-14 WO disclosed
WO-2016110688-A1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2016-07-14 WO disclosed
EP-3019040-A1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE British American Tobacco (Investments) Limited (GB) 2016-05-18 EP disclosed
WO-2015004483-A1 MATERIAL FOR INCLUSION IN A SMOKING ARTICLE BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2015-01-15 WO disclosed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO disclosed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US disclosed