SCHEMBL4698779

SCHEMBL4698779

CC(Cc1ccccc1)C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
CYP3A4 P08684 3/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.52
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
TRPA1 O75762 1/20 0.48
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL17949935 1.00 HPGD (0.56) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL265135 0.83 CYP1A2 (0.61) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL22066481 0.83 HPGD (0.59) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL265577 0.83 CYP1A2 (0.61) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL65930 0.83 CYP1A2 (0.61) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL7613299 0.83 HPGD (0.59) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL2486083 0.82 ACACB (0.45) HPGDTSHRNPC1RAB9AMEN1
SCHEMBL11145872 0.82 SLC6A2 (0.53) CYP3A4RAB9ACYP1A2MEN1KMT2A
SCHEMBL417469 0.81 HPGD (0.58) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL18009548 0.81 TSHR (0.42) HPGDCYP3A4TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431314-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业股份有限公司 2025-02-14 CN disclosed
CN-114671751-B O-hydroxyphenylketone compound and preparation method and application thereof 西北农林科技大学 2024-03-26 CN disclosed
CN-114671751-A O-hydroxyphenyl ketone compound, and preparation method and application thereof 西北农林科技大学 2022-06-28 CN disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
CN-105431510-B Organic compounds 奇华顿股份有限公司 2020-02-11 CN disclosed
WO-2019179515-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2019-09-26 WO disclosed
CN-110272363-A A kind of synthetic method of racecadotril 扬子江药业集团江苏海慈生物药业有限公司 2019-09-24 CN disclosed
EP-2906671-B1 USE OF 2-HYDROXYPHENYL ARYL KETONES AS FRAGRANCE OR FLAVOR COMPONENTS GIVAUDAN SA (CH) 2017-12-06 EP disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 US disclosed
EP-1234823-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1204643-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-05-15 EP disclosed
EP-1196388-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-04-17 EP disclosed
US-6355660-B1 HETEROCYCLIC FUNGICIDES SUBSTITUTED WITH AMIDE GROUPS DOW AGROSCIENCES LLC 2002-03-12 US disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed
WO-2001005769-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-01-25 WO disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 EP disclosed
EP-0076996-A1 Carboxylic-acid derivatives, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1983-04-20 EP disclosed
US-3992396-A TRANQUILIZERS, HYPNOTICS SANDOZ, INC. (US) 1976-11-16 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 (2 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-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 HPGD 1179/4885CYP3A4 333/4885TSHR 261/4885
US-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT HPGD 630/4885CYP3A4 2991/4885TSHR 4501/4885

“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.