SCHEMBL187137

SCHEMBL187137

COc1ccc(C(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
SCHEMBL187138 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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-110483264-A A kind of synthetic method of veratraldehyde SHANDONG NHU PHARMACEUTICAL CO LTD 2019-11-22 CN claimed
CN-109020813-A A kind of new method preparing alpha-brominated -3,4- dimethoxyphenylacetic acid ethapon ester 北京大学 2018-12-18 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-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-113121485-B 3-aryl coumarin derivative and preparation method and application thereof 中山大学 2023-01-03 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-113121485-A 3-aryl coumarin derivative and preparation method and application thereof 中山大学 2021-07-16 CN disclosed
CN-111920797-A Application of 3-aryl benzofuranone compound 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2020-11-13 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-4493823-A USING CARBOXYBENZENE COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-01-15 US disclosed
EP-0054174-A2 Topical cosmetic formulations for the treatment of very greasy hair and seborrhoeic skin Henkel Kommanditgesellschaft auf Aktien (DE) 1982-06-23 EP disclosed
EP-0005779-B1 PROCESS FOR THE PREPARATION OF ARYLGLYOXYLIC ACIDS BAYER AG (DE) 1980-11-26 EP disclosed
US-4218380-A OXIDATION OF THE A-HYDROXY-ARYLACETIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1980-08-19 US disclosed
EP-0005779-A2 Process for the preparation of arylglyoxylic acids BAYER AG (DE) 1979-12-12 EP 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 (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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 NPSR1 3065/4885TSHR 4030/4885BLM 3889/4885

“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.