Sugi Predict

Sugi Predict / Compounds / SCHEMBL691282

SCHEMBL691282

SCHEMBL691282

CCOC(=O)C=CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.56
▸ MAPT P10636 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ ATM Q13315 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MDM2 Q00987 2/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ FDPS P14324 1/20 0.37

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
SCHEMBL8582836 1.00 HCAR2 (0.56) HCAR2MAPTNPSR1CA12CA1
SCHEMBL104920 1.00 HCAR2 (0.56) HCAR2MAPTNPSR1CA12CA1
SCHEMBL24962297 0.87 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1
SCHEMBL28096079 0.84 HCAR2 (0.54) HCAR2MAPTNPSR1CA12CA1
SCHEMBL2545648 0.84 HCAR2 (0.54) HCAR2MAPTNPSR1CA12CA1
SCHEMBL2799607 0.84 HCAR2 (0.54) HCAR2MAPTNPSR1CA12CA1
SCHEMBL12798478 0.84 HCAR2 (0.54) HCAR2MAPTNPSR1CA12CA1
SCHEMBL30640686 0.84 HCAR2 (0.54) HCAR2MAPTNPSR1CA12CA1
SCHEMBL18561871 0.83 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1
SCHEMBL11800870 0.83 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631535-B Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-04-12 — — CN disclosed
CN-117813289-A Pyrazole derivatives, intermediates thereof and process for preparing same 上海海雁医药科技有限公司 2024-04-02 — — CN disclosed
WO-2023284775-A1 PYRAZOLE DERIVATIVE, AND INTERMEDIATE THEREOF AND PREPARATION METHOD THEREFOR 上海海雁医药科技有限公司 2023-01-19 — — WO disclosed
CN-113631535-A Heteroaryl and bis-heterocyclic aryl derivatives for the treatment of disorders associated with iron death 协同医药发展有限公司 2021-11-09 — — CN disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 — — US disclosed
EP-2857427-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME TOSOH CORP (JP) 2020-01-08 — — EP disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 — — US disclosed
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 — — US disclosed
EP-2857427-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME Tosoh Corporation (JP) 2015-04-08 — — EP disclosed
CN-101965330-B Method for producing beta-mercapto carboxylic acids SHOWA DENKO KK 2014-07-23 — — CN disclosed
US-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 — — US disclosed
EP-0608565-A1 Pyridopyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-03 — — EP disclosed
EP-0251370-B1 Cyclohexane-, cyclohexene- and cyclohexadiene, bicyclo[2.2.1]heptane and bicyclo [2.2.1]heptenecarboxylic acid esters, and also perfume compositions and perfumed products which contain one or more of said compounds as perfume component NAARDEN INTERNATIONAL N.V. (NL) 1989-10-25 — — EP disclosed
US-4843061-A ORGANOLEPTIC NAARDEN INTERNATIONAL N.V. (NL) 1989-06-27 — — US disclosed
EP-0251370-A1 Cyclohexane-, cyclohexene- and cyclohexadiene, bicyclo[2.2.1]heptane and bicyclo [2.2.1]heptenecarboxylic acid esters, and also perfume compositions and perfumed products which contain one or more of said compounds as perfume component NAARDEN INTERNATIONAL N.V. (NL) 1988-01-07 — — EP disclosed
US-3987176-A COMPOSITION AND USE OF 3,4-DIHYDROPYRIDONES AS VASODILATORS AND ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-19 — — US disclosed
US-3981882-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 — — US disclosed
US-3951990-A CORONARY AGENTS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — US disclosed
US-3951992-A CORONARY, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — US disclosed
US-3951991-A CORONARY AGENTS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — 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-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HCAR2 429/4885MAPT 2834/4885NPSR1 394/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HCAR2 429/4885MAPT 2834/4885NPSR1 394/4885

“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.