SCHEMBL1890967

SCHEMBL1890967

C1CCOCC1.C1COCO1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
TTR P02766 1/20 0.46
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8720707 1.00 ALDH1A1 (0.61) ALDH1A1TTRTSHRMEN1KMT2A
Tetrahydrofuran SCHEMBL2360611 0.96 ALDH1A1 (0.67) ALDH1A1TTRTSHRMEN1KMT2A
SCHEMBL9539378 0.96 ALDH1A1 (0.67) ALDH1A1TTRTSHRMEN1KMT2A
SCHEMBL9050010 0.96 ALDH1A1 (0.67) ALDH1A1TTRTSHR
SCHEMBL7758217 0.96 ALDH1A1 (0.67) ALDH1A1TTRTSHRMEN1KMT2A
Tetrahydrofuran SCHEMBL23573614 0.96 ALDH1A1 (0.67) ALDH1A1TTRTSHRMEN1KMT2A
SCHEMBL11741977 0.96 ALDH1A1 (0.67) ALDH1A1TTRTSHR
Dioxane SCHEMBL5598923 0.96 ALDH1A1 (0.67) ALDH1A1TTRTSHRMEN1KMT2A
SCHEMBL3419841 0.92 ALDH1A1 (0.61) ALDH1A1TTRTSHR
SCHEMBL1080336 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548496-B2 Anticancer agents AMERICAN CYANAMID COMPANY 2003-04-15 US claimed
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases AMERICAN CYANAMID COMPANY 2002-11-07 US claimed
CN-106882820-B Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-05-29 CN disclosed
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US disclosed
EP-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 EP disclosed
US-7250429-B2 Aminomethyl-substituted thiazolobenzimidazole compounds ASTELLAS PHARMA INC. (JP) 2007-07-31 US disclosed
US-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative ASTELLAS PHARMA INC. (JP) 2005-07-07 US disclosed
EP-1486501-A1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-15 EP disclosed
US-6548496-B2 Anticancer agents AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases AMERICAN CYANAMID COMPANY 2002-11-07 US disclosed
US-6432979-B1 ADMINISTERING SYNERGISTIC MIXTURE OF NON-STEROIDAL ANTIINFLAMMATORY AGENT AND EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR COMPRISING 3-CYANOQUINOLINE DERIVATIVE AMERICAN CYANAMID COMPANY 2002-08-13 US disclosed
US-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 US disclosed
EP-0053023-B1 HYDROXYLATION OF OLEFINS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-04-17 EP disclosed
US-4393253-A Hydroxylation of olefins EXXON RESEARCH & ENGINEERING CO. (US) 1983-07-12 US disclosed
EP-0053023-A1 Hydroxylation of olefins EXXON RESEARCH AND ENGINEERING COMPANY (US) 1982-06-02 EP disclosed
US-4314088-A Hydroxylation of olefins EXXON RESEARCH & ENGINEERING CO. (US) 1982-02-02 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-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative GRM1, GRIN1, GRM3 ALDH1A1 960/4885TTR 4297/4885TSHR 417/4885
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases ABL1, ROS1, ALK ALDH1A1 1730/4885TTR 4554/4885TSHR 1313/4885

“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.