SCHEMBL9960267

SCHEMBL9960267

CCC(C)C(CC)C(=O)OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL18754364 0.86 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4HTTMGLL
SCHEMBL14881258 0.81 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4HTTSMN1; SMN2
SCHEMBL2055318 0.80 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4SMN1; SMN2MGLL
SCHEMBL14976732 0.78 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4SMN1; SMN2MGLL
SCHEMBL92977 0.77 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4MGLL
SCHEMBL16687820 0.77 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4MGLL
SCHEMBL29897140 0.77 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4SMN1; SMN2MGLL
SCHEMBL28159480 0.77 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4SMN1; SMN2MGLL
SCHEMBL15268254 0.77 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLL
SCHEMBL12697221 0.77 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119510-A1 GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED ACIDS COMPOSITIONS HEXION INC. (US) 2019-04-25 — — US disclosed
EP-2661430-B1 GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED ACIDS COMPOSITIONS HEXION RES BELGIUM SA (BE) 2018-11-14 — — EP disclosed
EP-2768903-A2 POLYETHER POLYOL RESINS COMPOSITIONS Momentive Specialty Chemicals Research Belgium S.A. (BE) 2014-08-27 — — EP disclosed
US-20140005300-A1 GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED ACIDS COMPOSITIONS MOMENTIVE SPECIALITY CHEMICALS INC. (US) 2014-01-02 — — US disclosed
EP-2661430-A1 GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED ACIDS COMPOSITIONS Momentive Specialty Chemicals Research Belgium S.A. (BE) 2013-11-13 — — EP disclosed
WO-2013075805-A2 EPOXY COMPOSITIONS MOMENTIVE SPECIALTY CHEMICALS RESEARCH BEIGIUM S.A. (BE) 2013-05-30 — — WO disclosed
WO-2013056814-A2 POLYETHER POLYOL RESINS COMPOSITIONS MOMENTIVE SPECIALTY CHEMICALS RESEARCH BEIGIUM S.A. (BE) 2013-04-25 — — WO disclosed
WO-2012084265-A1 GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED ACIDS COMPOSITIONS MOMENTIVE SPECIALTY CHEMICALS RESEARCH S.A. (BE) 2012-06-28 — — WO 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-20190119510-A1 GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED ACIDS COMPOSITIONS GNE, B3GAT3, GALE ALDH1A1 991/4885TP53 4753/4885CYP3A4 1042/4885

“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.

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