SCHEMBL4413332

SCHEMBL4413332

O=C(CI)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MAPK1 P28482 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
TDP1 Q9NUW8 3/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 4/20 0.52
HCAR2 Q8TDS4 1/20 0.52
CDC25B P30305 1/20 0.50
SLC15A1 P46059 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1834864 0.85 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL28033465 0.85 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL9840777 0.84 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL1177836 0.83 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL294341 0.83 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL22279481 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL28215437 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL3727214 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL8892351 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL7696360 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386257-B Process for preparing enzalutamide using novel intermediates 阿尔第药物实验室有限公司 2024-05-24 CN claimed
CN-113717548-B Surface-modified silica gel and preparation method and application thereof 中国石油化工股份有限公司 2022-10-11 CN claimed
EP-3733648-B1 METHOD FOR PREPARING 5R-BENZYLOXYAMINOPIPERIDIN-2S-CARBOXYLIC ACID OR DERIVATIVE THEREOF XINFA PHARMACEUTICAL CO LTD (CN) 2022-06-08 EP claimed
CN-113717548-A Surface-modified silica gel and preparation method and application thereof 中国石油化工股份有限公司 2021-11-30 CN claimed
US-20210323920-A1 METHOD OF PREPARING 5R-[(BENZYLOXY) AMINO] PIPERIDINE-2S-CARBOXYLIC ACID OR A DERIVATIVE THEREOF XINFA PHARMACEUTICAL CO., LTD (CN) 2021-10-21 US claimed
US-11142499-B1 Method of preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylic acid or a derivative thereof XINFA PHARMACEUTICAL CO., LTD (CN) 2021-10-12 US claimed
CN-113461591-A Preparation method of precursor raw material Pht-AEEA-AEEA for side chain of Somalutide 浙江泽瑞生物医药有限公司 2021-10-01 CN claimed
CN-109970625-B Preparation method of 5R-benzyloxyaminopiperidine-2S-formic acid or derivative thereof 新发药业有限公司 2021-02-26 CN claimed
EP-3733648-A1 METHOD FOR PREPARING 5R-BENZYLOXYAMINOPIPERIDIN-2S-CARBOXYLIC ACID OR DERIVATIVE THEREOF Xinfa Pharmaceutical Co., Ltd (CN) 2020-11-04 EP claimed
CN-111386257-A Process for preparing enzalutamide using novel intermediates 阿尔第实业有限公司 2020-07-07 CN claimed
CN-110078644-B preparation method of [2- [1- (Fmoc-amino) ethoxy ] acetic acid 深圳市茵诺圣生物科技有限公司 2019-12-17 CN claimed
CN-110078644-A A kind of preparation method of [2- [1- (Fmoc- amino) ethyoxyl] ethyoxyl] acetic acid 深圳市茵诺圣生物科技有限公司 2019-08-02 CN claimed
CN-109970625-A A kind of preparation method of 5R- benzyloxy amino piperidine -2S- formic acid or derivatives thereof 新发药业有限公司 2019-07-05 CN claimed
CN-111386257-B Process for preparing enzalutamide using novel intermediates 阿尔第药物实验室有限公司 2024-05-24 CN disclosed
CN-113717548-B Surface-modified silica gel and preparation method and application thereof 中国石油化工股份有限公司 2022-10-11 CN disclosed
US-20220274954-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-01 US disclosed
US-4629787-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS MERCK & CO., INC. (US) 1986-12-16 US disclosed
EP-0179428-A2 Indoleacetic acid derivative and a pharmaceutical preparation GREEN CROSS CORPORATION (JP) 1986-04-30 EP disclosed
EP-0046291-B1 SUBSTITUTED CAPROLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND INTERMEDIATES MERCK & CO. INC. (US) 1985-12-27 EP disclosed
EP-0046291-A2 Substituted caprolactam derivatives as antihypertensives, process for preparing them, pharmaceutical composition containing them, and intermediates MERCK & CO. INC. (US) 1982-02-24 EP 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-11142499-B1 Method of preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylic acid or a derivative thereof GLUL, GRIN2D, GRIN2C ALDH1A1 221/4885MAPK1 4715/4885L3MBTL1 4184/4885
US-20220274954-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS DDC, ABAT, NPEPPS ALDH1A1 487/4885MAPK1 2206/4885L3MBTL1 848/4885
US-20210323920-A1 METHOD OF PREPARING 5R-[(BENZYLOXY) AMINO] PIPERIDINE-2S-CARBOXYLIC ACID OR A DERIVATIVE THEREOF GLUL, GRIN2D, GRIN2C ALDH1A1 221/4885MAPK1 4715/4885L3MBTL1 4184/4885

“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.