SCHEMBL5809247

SCHEMBL5809247

OCCCCc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.62
TAAR1 Q96RJ0 1/20 0.61
HDAC1 Q13547 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
TRPV1 Q8NER1 1/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 1/20 0.56
SLC6A4 P31645 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL30101936 1.00 CALM1 (0.62) CALM1TAAR1HDAC1HDAC3HDAC6
SCHEMBL26919 0.98 HDAC1 (0.62) CALM1TAAR1HDAC1HDAC3HDAC6
Hydrogen Sulfide SCHEMBL28114002 0.97 HDAC1 (0.61) CALM1TAAR1HDAC1HDAC3HDAC6
SCHEMBL79785 0.95 CALM1 (0.64) CALM1TAAR1HDAC1HDAC3HDAC6
SCHEMBL28867370 0.94 CALM1 (0.60) CALM1TAAR1HDAC1HDAC3HDAC6
Piperazine SCHEMBL28067428 0.91 HDAC1 (0.56) CALM1TAAR1HDAC1HDAC3HDAC6
Acetone SCHEMBL28206012 0.91 HDAC1 (0.63) CALM1TAAR1HDAC1HDAC3HDAC6
Acetonitrile SCHEMBL28510985 0.89 HDAC1 (0.54) CALM1TAAR1HDAC1HDAC3HDAC6
SCHEMBL3108886 0.88 HDAC1 (0.51) CALM1TAAR1HDAC1HDAC3HDAC6
SCHEMBL29644736 0.87 TAAR1 (0.67) CALM1TAAR1HDAC1HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325937-B2 Glycoside compound and preparation method therefor, composition, application, and intermediate SHANGHAI HUTCHISON PHARMACEUTICALS LIMITED (CN) 2022-05-10 US disclosed
WO-2021139621-A1 METHOD FOR PREPARING GLYCOSIDE COMPOUND 上海和黄药业有限公司 2021-07-15 WO disclosed
EP-3819303-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE Shanghai Hutchison Pharmaceuticals Limited (CN) 2021-05-12 EP disclosed
US-20210115082-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE SHANGHAI HUTCHISON PHARMACEUTICALS LIMITED (CN) 2021-04-22 US disclosed
US-9386767-B2 Derivatives of dillapiol and related monolignans and use thereof UNIVERSITY OF OTTAWA (CA) 2016-07-12 US disclosed
US-9386767-B2 Derivatives of dillapiol and related monolignans and use thereof UNIVERSITY OF OTTAWA (CA) 2016-07-12 US disclosed
US-20130012477-A1 DERIVATIVES OF DILLAPIOL AND RELATED MONOLIGNANS AND USE THEREOF HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF HEALTH (CA) 2013-01-10 US disclosed
US-20130012477-A1 DERIVATIVES OF DILLAPIOL AND RELATED MONOLIGNANS AND USE THEREOF HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF HEALTH (CA) 2013-01-10 US disclosed
CN-101897986-A The box privy deodorizing method of liquid deodorant and box privy SHIZUOKA PREFECTURAL UNIVERSIT 2010-12-01 CN disclosed
WO-2006103527-A1 AROMATIC SUBSTITUTED PENTADIENOIC ACID AMIDE FOR COMBINATION WITH ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 WO disclosed
CN-1274839-C Process for the preparation of enantiomerically enriched esters and alcohols DSM NV (NL) 2006-09-13 CN disclosed
CN-1430677-A Process for the preparation of enantiomerically enriched esters and alcohols DSM NV (NL) 2003-07-16 CN disclosed
CN-1365962-A Process for preparing piperonyl propionaldehyde GELIN PERFUME CHEMISTRY CO LTD (CN) 2002-08-28 CN disclosed
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 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 (3 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-11325937-B2 Glycoside compound and preparation method therefor, composition, application, and intermediate VEGFA, FLT4, FLT1 CALM1 3278/4885TAAR1 4836/4885HDAC1 4220/4885
US-20130012477-A1 DERIVATIVES OF DILLAPIOL AND RELATED MONOLIGNANS AND USE THEREOF CYP3A43, CYP3A4, CYP4A22 CALM1 859/4885TAAR1 3430/4885HDAC1 330/4885
US-20210115082-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE VEGFA, FLT4, FLT1 CALM1 3278/4885TAAR1 4836/4885HDAC1 4220/4885

“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.