SCHEMBL2775798

SCHEMBL2775798

COC(CC(C)(C)O)OC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
Hydrochloric Acid SCHEMBL2449592 0.95 ALDH1A1 (0.32) ALDH1A1
SCHEMBL759392 0.75
SCHEMBL8757241 0.74
SCHEMBL3462114 0.74
SCHEMBL11659916 0.73 ALDH1A1 (0.45) ALDH1A1
SCHEMBL18184332 0.72
SCHEMBL4195938 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL25045881 0.69 ACACB (0.36) ALDH1A1
SCHEMBL1730499 0.69 CYP2C9 (0.31)
SCHEMBL23978886 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100378105-C Pyran isoflavone molluscacide synthesizing method and formulation NANJING MILITARY AREA COMBINED (CN) 2008-04-02 CN claimed
CN-1521164-A Pyran isoflavone molluscacide synthesizing method and formulation 中国人民解放军南京军区联勤部军事医 2004-08-18 CN claimed
CN-1431209-A Method for synthesizing molluscacide (Al pinumisoflavone) of pyrane isoflavone and its product INST OF MILITARY MEDICINE IN D (CN) 2003-07-23 CN claimed
EP-0775130-B1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2003-05-02 EP claimed
JP-3043813-B2 2000-05-22 JP claimed
WO-1998038193-A1 METHOD FOR THE PREPARATION OF (+)-CALANOLIDE A AND ANALOGUES THEREOF MEDICHEM RESEARCH, INC. (US) 1998-09-03 WO claimed
EP-0775130-A1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1997-05-28 EP claimed
WO-1996004263-A1 METHOD FOR THE PREPARATION OF (±)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1996-02-15 WO claimed
US-5489697-A Method for the preparation of (+)-calanolide A and intermediates thereof MEDICHEM RESEARCH, INC. (US) 1996-02-06 US claimed
CN-116239473-A Alcohol-based polyether compound with symmetrical structure, and preparation method and application thereof 新凤鸣集团股份有限公司 2023-06-09 CN disclosed
EP-2231143-B1 5H-pyrido[4,3-b]indoles as INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2231143-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-09-29 EP disclosed
WO-1998038193-A1 METHOD FOR THE PREPARATION OF (+)-CALANOLIDE A AND ANALOGUES THEREOF MEDICHEM RESEARCH, INC. (US) 1998-09-03 WO disclosed
EP-0775130-A1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1997-05-28 EP disclosed
US-5576426-A Aldolase catalyzed stereoselective synthesis of arabinohexulose, xyloheptulose, threohexulose and xylohexulose G. D. SEARLE & CO. (US) 1996-11-19 US disclosed
WO-1996004263-A1 METHOD FOR THE PREPARATION OF (±)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1996-02-15 WO disclosed
US-5489697-A Method for the preparation of (+)-calanolide A and intermediates thereof MEDICHEM RESEARCH, INC. (US) 1996-02-06 US disclosed
US-5143831-A Fructose 1,6-diphosphate aldolase catalyzed steroselective synthesis of sugars G. D. SEARLE & CO. (US) 1992-09-01 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-20100267709-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 ALDH1A1 3244/4885

“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.