SCHEMBL6577079

SCHEMBL6577079

CC(C)COCC(C)C.[AlH3]

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
TSHR P16473 3/20 0.32
HSD17B10 Q99714 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
SCHEMBL24856 0.96
Fluoride SCHEMBL27458917 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR
SCHEMBL5795391 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR
SCHEMBL27485230 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR
SCHEMBL15400759 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR
SCHEMBL10703282 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR
Hydrochloric Acid SCHEMBL27771643 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR
Water SCHEMBL20597605 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR
Phosphine SCHEMBL21380516 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR
Hydrochloric Acid SCHEMBL9395320 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1ATSHR

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-5616671-A SOLVENT-FREE, HEATED REACTION OF STARCH WITH IN SITU POLYMERIZED LACTONE IN MIXTURE CONTAINING ORGANOMETALLIC POLYMERIZING AGENT BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1997-04-01 US claimed
US-5578691-A POLYLACTONES BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1996-11-26 US claimed
CN-114763357-B Indolopyrimidine tricyclic compound and preparation method and application thereof 中国科学院上海药物研究所 2024-06-18 CN disclosed
CN-116836316-A Method for preparing syndiotactic 1, 2-polybutadiene and regulating molecular weight by Fe-based catalyst 青岛科技大学 2023-10-03 CN disclosed
CN-116478329-A Terminal-oligohydroxy liquid poly-conjugated diene rubber and preparation method and application thereof 青岛科技大学 2023-07-25 CN disclosed
CN-116355117-A Terminal functionalized high cis-rare earth conjugated diene rubber and preparation method thereof 青岛科技大学 2023-06-30 CN disclosed
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 EP disclosed
US-4605715-A ELIMINATION OF WASHING STEPS; EFFICIENCY THE DOW CHEMICAL COMPANY (US) 1986-08-12 US disclosed
US-4604374-A OLEFIN POLYMERIZATION CATALYST THE DOW CHEMICAL COMPANY (US) 1986-08-05 US disclosed
EP-0104880-A2 Attractant termiticidal compounds, compositions and methods of use therefor THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1984-04-04 EP 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 (1 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-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these ADH1C, ADH5, ADH1A ALDH1A1 145/4885ADH1B 60/4885ADH1C 1/4885

“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.