SCHEMBL17465649

SCHEMBL17465649

CC1(F)CCC(C(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL26151551 0.86 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL9390303 0.85 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL18160268 0.79
SCHEMBL23765298 0.78 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL23765253 0.78 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL11932071 0.78 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL26151556 0.77 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL26151559 0.76 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL18760494 0.75 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL26151518 0.73 ALDH1A1 (0.30) ALDH1A1TDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
WO-2023088441-A1 KIF18A INHIBITOR 微境生物医药科技(上海)有限公司 2023-05-25 WO disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230143050-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-05-11 US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 US disclosed
WO-2022229351-A1 SELECTIVE INHIBITORS OF ROCK2 FOR THE TREATMENT OF MUSCULAR DYSTROPHY GRAVITON BIOSCIENCE BV (NL) 2022-11-03 WO disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-20180036416-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-02-08 US disclosed
US-20170273978-A1 IMIDAZOYL ANILIDE DERIVATIVES AND METHODS OF USE INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-09-28 US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 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 (8 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 ALDH1A1 2569/4885TDP1 3501/4885
US-20170273978-A1 IMIDAZOYL ANILIDE DERIVATIVES AND METHODS OF USE ABL1, FLT3, ALK ALDH1A1 2209/4885TDP1 958/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B ALDH1A1 2661/4885TDP1 448/4885
US-20180036416-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 ALDH1A1 1010/4885TDP1 3247/4885
US-20230143050-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS IL17A, IL23R, IL15 ALDH1A1 144/4885TDP1 3324/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B ALDH1A1 2661/4885TDP1 448/4885
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 ALDH1A1 2654/4885TDP1 697/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ALDH1A1 1828/4885TDP1 1890/4885

“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.