SCHEMBL2646145

SCHEMBL2646145

O=C1OC(=O)C2=C1CCCCC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17199688 1.00 TRIM24 (0.42) TRIM24TRIM33ALDH1A1TSHRCA1
SCHEMBL6666733 1.00 TRIM24 (0.42) TRIM24TRIM33ALDH1A1TSHRCA1
SCHEMBL40325 0.97 TRIM24 (0.39) TRIM24TRIM33ALDH1A1TSHRCA1
Hydrochloric Acid SCHEMBL10627420 0.91 TRIM24 (0.35) TRIM24TRIM33ALDH1A1TSHRCA1
SCHEMBL252317 0.90 TSHR (0.37) TRIM24TRIM33ALDH1A1TSHRALOX15
SCHEMBL10627424 0.86 TRIM24 (0.38) TRIM24TRIM33ALDH1A1TSHR
SCHEMBL11700035 0.83 TSHR (0.41) ALDH1A1TSHRALOX15TDP1
SCHEMBL55174 0.83
SCHEMBL17195896 0.82 ALDH1A1 (0.33) TRIM24TRIM33ALDH1A1
SCHEMBL17195893 0.82 ALDH1A1 (0.33) TRIM24TRIM33ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830909-A DIETETICS AMERICAN CYANAMID COMPANY (US) 1998-11-03 US claimed
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2024-09-05 US disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed
US-9708413-B2 Glycosylated linker, compound containing glycosylated linker moiety and physiologically active substance moiety or salt thereof, and methods for producing said compound or salt thereof GLYTECH, INC. (JP) 2017-07-18 US disclosed
US-20150299337-A1 GLYCOSYLATED LINKER, COMPOUND CONTAINING GLYCOSYLATED LINKER MOIETY AND PHYSIOLOGICALLY ACTIVE SUBSTANCE MOIETY OR SALT THEREOF, AND METHODS FOR PRODUCING SAID U OR SALT THEREOF GLYTECH INC (JP) 2015-10-22 US disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO disclosed
US-4642315-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-02-10 US disclosed
US-4587234-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1986-05-06 US disclosed
US-4499079-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 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-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF NLRP3, NLRP1, PYCARD TRIM24 386/4885TRIM33 1796/4885ALDH1A1 2544/4885
US-20150299337-A1 GLYCOSYLATED LINKER, COMPOUND CONTAINING GLYCOSYLATED LINKER MOIETY AND PHYSIOLOGICALLY ACTIVE SUBSTANCE MOIETY OR SALT THEREOF, AND METHODS FOR PRODUCING SAID U OR SALT THEREOF CD44, CSGALNACT1, UGGT1 TRIM24 3851/4885TRIM33 4214/4885ALDH1A1 594/4885

“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.