SCHEMBL649500

SCHEMBL649500

Oc1ccc(-c2ccsc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.58
CYP2E1 P05181 2/20 0.58
CYP2B6 P20813 2/20 0.58
ESR1 P03372 3/20 0.55
ESR2 Q92731 2/20 0.55
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
KMT2A Q03164 1/20 0.50
ACMSD Q8TDX5 1/20 0.48
ERN1 O75460 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MMP3 P08254 1/20 0.46
BCL2L1 Q07817 1/20 0.46
FYN P06241 1/20 0.45
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL7448864 1.00 CYP2A6 (0.58) CYP2A6CYP2E1CYP2B6ESR1ESR2
SCHEMBL28764321 0.98 CYP2A6 (0.56) CYP2A6CYP2E1CYP2B6ESR1ESR2
SCHEMBL14542299 0.88 ESR2 (0.54) CYP2A6CYP2E1CYP2B6ESR1ESR2
SCHEMBL4312306 0.88 CYP17A1 (0.66) CYP2A6CYP2E1CYP2B6ESR1ESR2
SCHEMBL27989815 0.87 CYP2A6 (0.74) CYP2A6CYP2E1CYP2B6ACMSDERN1
SCHEMBL2125063 0.81 CYP2A6 (0.72) CYP2A6CYP2E1CYP2B6ACMSDERN1
SCHEMBL13210803 0.79 ESR1 (0.61) CYP2B6ESR1ESR2ACMSDERN1
SCHEMBL6067952 0.78 CYP2A6 (0.50) CYP2A6CYP2E1CYP2B6ACMSDERN1
SCHEMBL24106775 0.77 CYP2A6 (0.95) CYP2A6CYP2E1CYP2B6ACMSDKCNH2
SCHEMBL3997707 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113897062-B Heat-conducting insulating silicon rubber for 5G and preparation method thereof 广东乐普泰新材料科技有限公司 2023-08-25 CN claimed
WO-2015183931-A1 STABILIZED CHEMILUMINESCENT SYSTEM LI-COR, INC. (US) 2015-12-03 WO claimed
US-20150346202-A1 STABILIZED CHEMILUMINESCENT SYSTEM Ll-COR, INC. (US) 2015-12-03 US claimed
CN-1308627-A 11-Aryl-benzo[b]naphtho[2,3-d]furans and 11-aryl-aryl-benzo[b]anphtho[2,3-d]thiophenes useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PROD (US) 2001-08-15 CN claimed
CN-113897062-B Heat-conducting insulating silicon rubber for 5G and preparation method thereof 广东乐普泰新材料科技有限公司 2023-08-25 CN disclosed
CN-113897062-A Heat-conducting insulating silicon rubber for 5G and preparation method thereof 广东乐普泰新材料科技有限公司 2022-01-07 CN disclosed
EP-2259377-B1 SOLAR CELL SHARP KK (JP) 2020-06-03 EP disclosed
EP-3212694-B1 SILANES AND SILICIC ACID (HETERO) POLYCONDENSATES SUBSTITUTED WITH AROMATIC RESIDUES AND WITH HYDROXY GROUPS, AND DERIVATIVES THEREOF, WHICH ARE SUITABLE, AS SUCH OR AS COMPOSITES, FOR (MATRIX) SYSTEMS HAVING HIGH TRANSLUCENCE AND GOOD MECHANICAL PROPERTIES WOLTER HERBERT (DE) 2019-03-27 EP disclosed
CN-103709153-B Benzothiophene derivative and its application in field of organic electroluminescence 昆山维信诺显示技术有限公司 2019-01-29 CN disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
EP-3268489-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2018-01-17 EP disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 US disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US disclosed
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0455471-A2 Improved chemiluminescent reagents and methods Hitachi Chemical Co., Ltd. (JP) 1991-11-06 EP disclosed
US-4212882-A ANTIINFLAMMATORY INTERMEDIATES RIKER LABORATORIES, INC. (US) 1980-07-15 US disclosed
US-4172082-A ANTIINFLAMMATORY AGENTS RIKER LABORATORIES, INC. (US) 1979-10-23 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 (4 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-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CYP2A6 247/4885CYP2E1 262/4885CYP2B6 193/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A CYP2A6 132/4885CYP2E1 370/4885CYP2B6 238/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CYP2A6 247/4885CYP2E1 262/4885CYP2B6 193/4885
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 CYP2A6 14/4885CYP2E1 8/4885CYP2B6 7/4885

“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.