SCHEMBL187138

SCHEMBL187138

COc1ccc([C@@H](O)C(=O)O)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.75
TSHR P16473 2/20 0.75
BLM P54132 1/20 0.75
ACHE P22303 2/20 0.66
LDHA P00338 1/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51

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
SCHEMBL187137 1.00 NPSR1 (0.75) NPSR1TSHRBLMACHELDHA
SCHEMBL11257010 0.87 TSHR (0.63) NPSR1TSHRBLMACHEKMT2A
SCHEMBL11256995 0.87 TSHR (0.63) NPSR1TSHRBLMACHEKMT2A
SCHEMBL352960 0.86 NPSR1 (0.76) NPSR1TSHRBLMACHEL3MBTL1
SCHEMBL503700 0.86 NPSR1 (0.76) NPSR1TSHRBLMACHEL3MBTL1
SCHEMBL28601945 0.86 TSHR (0.66) NPSR1TSHRBLMACHELDHA
SCHEMBL10085812 0.86 NPSR1 (0.76) NPSR1TSHRBLMACHEL3MBTL1
SCHEMBL28233452 0.86 TSHR (0.66) NPSR1TSHRBLMACHELDHA
SCHEMBL10085823 0.86 TSHR (1.00) NPSR1TSHRBLMACHEKMT2A
SCHEMBL140947 0.86 TSHR (1.00) NPSR1TSHRBLMACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483264-A A kind of synthetic method of veratraldehyde SHANDONG NHU PHARMACEUTICAL CO LTD 2019-11-22 CN claimed
CN-117466720-A Preparation method of veratraldehyde 重庆欣欣向荣精细化工股份有限公司 2024-01-30 CN disclosed
CN-113214057-A Method for synthesizing aromatic aldehyde by Lewis acid catalysis 西安工程大学 2021-08-06 CN disclosed
CN-110483264-A A kind of synthetic method of veratraldehyde SHANDONG NHU PHARMACEUTICAL CO LTD 2019-11-22 CN disclosed
CN-110483264-A A kind of synthetic method of veratraldehyde SHANDONG NHU PHARMACEUTICAL CO LTD 2019-11-22 CN disclosed
US-9748487-B2 Polymers based on naphthodiones BASF SE (DE) 2017-08-29 US disclosed
CN-104781367-B Polymers based on naphthodiketones 巴斯夫欧洲公司 2017-04-26 CN disclosed
EP-2917304-B1 POLYMERS BASED ON NAPHTHODIONES BASF SE (DE) 2016-10-26 EP disclosed
US-20160049588-A1 POLYMERS BASED ON NAPHTHODIONES BASF SE (DE) 2016-02-18 US disclosed
EP-2917304-A2 POLYMERS BASED ON NAPHTHODIONES BASF SE (DE) 2015-09-16 EP disclosed
EP-2688554-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES Cevc, Gregor (DE) 2014-01-29 EP disclosed
US-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2014-01-16 US disclosed
WO-2012126966-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2012-09-27 WO disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
WO-2012017005-A2 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2012-02-09 WO disclosed
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP disclosed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO disclosed
US-4493823-A USING CARBOXYBENZENE COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-01-15 US disclosed
US-4218380-A OXIDATION OF THE A-HYDROXY-ARYLACETIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1980-08-19 US disclosed
US-4091214-A ALPHA-HYDROXY CARBOXYLIC ACID ELI LILLY AND COMPANY (US) 1978-05-23 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 (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-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CD68, CHMP4B, ANXA5 NPSR1 2831/4885TSHR 4007/4885BLM 520/4885
US-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 NPSR1 4678/4885TSHR 4680/4885BLM 4441/4885
US-20160049588-A1 POLYMERS BASED ON NAPHTHODIONES CCND2, CCND1, PCNA NPSR1 1486/4885TSHR 3050/4885BLM 274/4885

“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.