SCHEMBL6735568

SCHEMBL6735568

Cc1ccc(Sc2ccc(C=O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.73
ALDH1A1 P00352 5/20 0.58
MAPT P10636 5/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HKDC1 Q2TB90 1/20 0.42
TYR P14679 1/20 0.41
CYP2A13 Q16696 1/20 0.41
MLYCD O95822 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL1010125 0.94 CYP2A6 (0.64) CYP2A6ALDH1A1MAPTHPGDNPSR1
SCHEMBL6853611 0.88 ALDH1A1 (0.64) CYP2A6ALDH1A1HPGDL3MBTL1TYR
SCHEMBL8469408 0.85 CYP2A6 (1.00) CYP2A6ALDH1A1SMN1; SMN2TDP1TYR
SCHEMBL29171 0.85
SCHEMBL17508287 0.85 CYP2A6 (0.52) CYP2A6ALDH1A1MAPTHPGDNPSR1
P-Xylene SCHEMBL10939332 0.85 CYP2A6 (1.00) CYP2A6ALDH1A1SMN1; SMN2TDP1TYR
Diphenylsulfane SCHEMBL28950400 0.85 CYP2A6 (0.57) CYP2A6ALDH1A1MAPTHPGDNPSR1
SCHEMBL586330 0.83 CYP2A6 (0.94) CYP2A6ALDH1A1SMN1; SMN2TDP1TYR
SCHEMBL586152 0.83 CYP2A6 (0.94) CYP2A6ALDH1A1SMN1; SMN2TDP1TYR
Hydrochloric Acid SCHEMBL14686576 0.83 CYP2A6 (0.94) CYP2A6ALDH1A1SMN1; SMN2TDP1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 US claimed
EP-0836591-B1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIV SASKATCHEWAN (CA) 2001-09-26 EP claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 US claimed
CN-115179545-B Compositions and articles for additive manufacturing and methods of use thereof 斯特拉塔西斯公司 2024-12-24 CN disclosed
CN-118829493-A Method for producing an optical effect layer comprising magnetic or magnetizable pigment particles and exhibiting more than one marking 锡克拜控股有限公司 2024-10-22 CN disclosed
CN-115210219-A Oxime ester photoinitiators 巴斯夫欧洲公司 2022-10-18 CN disclosed
CN-115179544-A Compositions and articles for additive manufacturing and methods of use thereof 科思创(荷兰)有限公司 2022-10-14 CN disclosed
CN-115179545-A Compositions and articles for additive manufacturing and methods of use thereof 科思创(荷兰)有限公司 2022-10-14 CN disclosed
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-08-30 US disclosed
CN-111526977-B Compositions and articles for additive manufacturing and methods of use thereof 科思创(荷兰)有限公司 2022-07-01 CN disclosed
CN-114341732-A Liquid hybrid uv/vis radiation curable resin compositions for additive manufacturing 科思创(荷兰)有限公司 2022-04-12 CN disclosed
CN-108027558-B Liquid, hybrid uv/vis radiation curable resin compositions for additive fabrication 科思创(荷兰)有限公司 2022-03-25 CN disclosed
CN-108472834-B Improved antimony-free radiation curable compositions for additive fabrication and their use in investment casting processes 帝斯曼知识产权资产管理有限公司 2021-05-25 CN disclosed
CN-107636025-B Liquid, hybrid UV/visible radiation curable resin compositions for additive fabrication 帝斯曼知识产权资产管理有限公司 2021-02-02 CN disclosed
CN-111526977-A Compositions and articles for additive manufacturing and methods of use thereof 帝斯曼知识产权资产管理有限公司 2020-08-11 CN disclosed
CN-104345562-B Low viscosity liquid radiation curable dental aligner mold resin composition for additive manufacturing 帝斯曼知识产权资产管理有限公司 2020-04-24 CN disclosed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 US disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-8357737-B2 Polyarylene sulfide composition TOSOH CORPORATION (JP) 2013-01-22 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-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 CYP2A6 249/4885ALDH1A1 716/4885MAPT 3163/4885
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods TST, CBS, CRY2 CYP2A6 249/4885ALDH1A1 716/4885MAPT 3163/4885

“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.