SCHEMBL3584503

SCHEMBL3584503

Cc1cccc2c1ccc1c3occ(C)c3oc(=O)c21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.78
ESR2 Q92731 9/20 0.50
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CES2 O00748 1/20 0.43
KDM1A O60341 1/20 0.43
EED O75530 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PTPN6 P29350 1/20 0.43
BLM P54132 1/20 0.43
PTPN11 Q06124 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
HIF1A Q16665 1/20 0.43
NSD1 Q96L73 1/20 0.43
EPAS1 Q99814 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ESR1 P03372 6/20 0.40

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
SCHEMBL12115014 0.82 CES1 (0.78) CES1ESR2BCHEACHECES2
SCHEMBL31237486 0.82 CES1 (0.78) CES1ESR2BCHEACHECES2
SCHEMBL3580678 0.69 CES1 (0.59) CES1ESR2BCHEACHEPOLB
SCHEMBL3584746 0.69 CES1 (0.59) CES1ESR2BCHEACHEPOLB
SCHEMBL29314362 0.68 CES1 (0.55) CES1ESR2BCHEACHECES2
SCHEMBL3585903 0.68 CES1 (0.48) CES1ESR2BCHEACHECES2
SCHEMBL12433609 0.67 CYP1A2 (0.59) CES1ESR2BCHEACHECES2
SCHEMBL2607400 0.65 CYP2A6 (0.48) CES1ACHECES2KDM1AEED
SCHEMBL24534291 0.64 CYP1A2 (0.54) CES1ESR2BCHEACHECES2
SCHEMBL3584662 0.64 CES1 (0.53) CES1ESR2BCHEACHEESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104983738-B Improve the pharmaceutical composition of platelet aggregation and its screening technique using PTAFR as target spot 安徽科技学院 2018-05-08 CN claimed
CN-105055516-A New anti-inflammatory medicine with bone protection function and composed of glucocorticoid and salvia extract GUANGDONG MEDICAL COLLEGE 2015-11-18 CN claimed
CN-104983738-A Pharmaceutical composition for improving platelet aggregation, and pharmaceutical composition screening method adopting PTAFR as target point UNIV ANHUI SCIENCE & TECH 2015-10-21 CN claimed
CN-111979191-B Method for enhancing killing power of CIK (cytokine induced killer) cells, CIK cells and application 郑州源创基因科技有限公司 2022-11-04 CN disclosed
CN-111979191-A Method for enhancing killing power of CIK (cytokine induced killer) cells, CIK cells and application 单海华 2020-11-24 CN disclosed
CN-108276420-B 8, 13-dihydrobenzo [5,6] chromene [2,3-b ] indole compound and synthetic method thereof 四川理工学院 2020-11-24 CN disclosed
CN-110249932-A A kind of method of Chinese prescription Cultivated rapeseed 梁平县高板桥水稻种植专业合作社 2019-09-20 CN disclosed
CN-109908323-A A kind of compound product production method facilitated human bone marrow's stem cell regenerating and activate suspend mode stem cell 李胜 2019-06-21 CN disclosed
CN-105581965-B Conditioning-type women private portion conditioning liquid is sterilized in nutrition 南京瑞霖松生物科技有限公司 2019-03-08 CN disclosed
CN-106565691-B Benzo coumarin derivatives pharmaceutically acceptable salt and its preparation method and application 浙江工业大学 2019-02-22 CN disclosed
CN-109297929-A A method of salvia piece quality grading is established using near infrared technology 国药集团同济堂(贵州)制药有限公司 2019-02-01 CN disclosed
EP-1722779-A4 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS UNIV NORTH CAROLINA (US) 2009-05-06 EP disclosed
US-7495026-B2 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-02-24 US disclosed
US-7495026-B2 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-02-24 US disclosed
EP-1722779-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS The University of North Carolina at Chapel Hill (US) 2006-11-22 EP disclosed
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 US disclosed
WO-2005087225-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 WO disclosed
US-20050181080-A1 Chinese traditional medicines for psoriasis HUANG HSU-SHAN (TW) 2005-08-18 US disclosed
US-20030165533-A1 Chinese traditional medicines for psoriasis HUANG HSU-SHAN (TW) 2003-09-04 US disclosed
US-20030152588-A1 Chinese traditional medicines for psoriasis HUANG HSU-SHAN (TW) 2003-08-14 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 (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-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 CES1 1629/4885ESR2 54/4885BCHE 2213/4885

“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.