SCHEMBL891828

SCHEMBL891828

CCCCCC[CH]C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TSHR P16473 2/20 0.39
NAAA Q02083 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
EPHX1 P07099 5/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL892025 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL22042665 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL8770230 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL6715525 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL22042671 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL22042602 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL6263591 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL6716866 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL8769510 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1
SCHEMBL65833 1.00 CYP1A2 (0.41) CYP1A2TSHRNAAASIGMAR1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199625-A1 BICYCLIC HETEROCYCLIC FGFR4 INHIBITOR, PHARMACEUTICAL COMPOSITION AND PREPARATION COMPRISING SAME, AND APPLICATION THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-06-20 US disclosed
EP-4317143-A1 BICYCLIC HETEROCYCLIC FGFR4 INHIBITOR, PHARMACEUTICAL COMPOSITION AND PREPARATION COMPRISING SAME, AND APPLICATION THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2024-02-07 EP disclosed
CN-117062809-A Bicyclic heterocyclic FGFR4 inhibitors, pharmaceutical compositions and formulations comprising the same and uses thereof 杭州普洛药物研究院有限公司 2023-11-14 CN disclosed
WO-2021219495-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-11-04 WO disclosed
US-20210338626-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-11-04 US disclosed
WO-2020149553-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR TREATMENT OF KINASE-RELATED DISEASE 주식회사 보로노이 2020-07-23 WO disclosed
CN-109021982-A Liquid crystal alignment agent, manufacturing method of liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2018-12-18 CN disclosed
US-9261783-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-16 US disclosed
US-9000045-B2 CETP activity inhibitors JAPAN TOBACCO INC. (JP) 2015-04-07 US disclosed
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2014-12-11 US disclosed
WO-2004082593-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2004-09-30 WO disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
US-6753346-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS JAPAN TOBACCO INC. (JP) 2004-06-22 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents JAPAN TOBACCO, INC., A JAPAN CORPORATION 2003-05-15 US disclosed
US-6426365-B1 Anticholesterol agents; Cholesterol ester transfer protein (CETP); including dalcetrapib, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino) phenyl) 2-methylpropanethioate JAPAN TOBACCO INC. (JP) 2002-07-30 US disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 EP disclosed
EP-1044985-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2000-10-18 EP disclosed
EP-1020439-A1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC. (JP) 2000-07-19 EP disclosed
CN-1252053-A Cetp activity inhibitors JAPAN TOBACCO INC (JP) 2000-05-03 CN 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 (5 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 CYP1A2 2639/4885TSHR 925/4885NAAA 1333/4885
US-20210338626-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION ACE, ACE2, REN CYP1A2 3967/4885TSHR 4080/4885NAAA 276/4885
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents CETP, CES1, PON1 CYP1A2 1243/4885TSHR 3032/4885NAAA 688/4885
US-20240199625-A1 BICYCLIC HETEROCYCLIC FGFR4 INHIBITOR, PHARMACEUTICAL COMPOSITION AND PREPARATION COMPRISING SAME, AND APPLICATION THEREOF FGFR4, FGFR3, FGFR1 CYP1A2 505/4885TSHR 3669/4885NAAA 4254/4885
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CYP1A2 1703/4885TSHR 1974/4885NAAA 317/4885

“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.