SCHEMBL9893797

SCHEMBL9893797

CC(C)(O)C(C)(C)OB(O)c1cccc(NC=O)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP26B1 Q9NR63 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL3524643 0.83 NLRP3 (0.32) NLRP3
SCHEMBL9893711 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1015209 0.81 ALDH1A1 (0.45) ALDH1A1
SCHEMBL9893667 0.80 POLB (0.45) ALDH1A1
SCHEMBL17124205 0.80 ALDH1A1 (0.41) ALDH1A1NLRP3
SCHEMBL2558506 0.79 UNG (0.36) ALDH1A1CYP26B1
SCHEMBL9893568 0.78 HDAC3 (0.42) NLRP3
SCHEMBL16223353 0.75 ACHE (0.35) ALDH1A1CYP26B1
SCHEMBL517851 0.75 ENPP2 (0.48) ALDH1A1CYP26B1
SCHEMBL1347461 0.74 ALDH1A1 (0.48) ALDH1A1NLRP3

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-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ALDH1A1 4010/4885CYP26B1 4229/4885NLRP3 2357/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ALDH1A1 4010/4885CYP26B1 4229/4885NLRP3 2357/4885

“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.