SCHEMBL10046289

SCHEMBL10046289

O=C(OCC1CO1)OC1C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MGLL Q99685 5/20 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
SCHEMBL30688690 0.78
SCHEMBL6933803 0.76 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MGLL
SCHEMBL18729639 0.75 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4
SCHEMBL377540 0.72 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLL
SCHEMBL6432024 0.70 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MGLL
SCHEMBL5185884 0.69
SCHEMBL16340361 0.68 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLL
SCHEMBL6437013 0.68 TP53 (0.46) ALDH1A1TP53CYP3A4MGLL
SCHEMBL14624754 0.68 CA12 (0.37)
SCHEMBL9578287 0.68 CA12 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029116-A1 CURABLE ADHESIVE COMPOSITIONS, PROCESS, AND APPLICATIONS TRILLION SCIENCE, INC. (US) 2012-02-02 US disclosed
US-8084553-B2 Curable adhesive compositions, process, and applications TRILLION SCIENCE, INC. (US) 2011-12-27 US disclosed
US-20090181165-A1 Curable adhesive compositions, Process, and applications TRILLION SCIENCE, INC. (US) 2009-07-16 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-20120029116-A1 CURABLE ADHESIVE COMPOSITIONS, PROCESS, AND APPLICATIONS RBX1, SUZ12, CDH1 ALDH1A1 429/4885TP53 3443/4885CYP3A4 809/4885
US-20090181165-A1 Curable adhesive compositions, Process, and applications RBX1, SUZ12, CDH1 ALDH1A1 429/4885TP53 3443/4885CYP3A4 809/4885

“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.