SCHEMBL21526099

SCHEMBL21526099

CCCC(C)(C)CC1(CO[N+](=O)[O-])CC1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18789649 0.87 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18776643 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL14607672 0.71 ALDH1A1 (0.50) ALDH1A1
SCHEMBL18789638 0.69
SCHEMBL14962472 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL14573912 0.67
SCHEMBL9803653 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1922429 0.64 ALDH1A1 (0.50) ALDH1A1
SCHEMBL17154258 0.61 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18459312 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464930-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-11-05 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 (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-10464930-B2 Compositions and methods for treating estrogen-related medical disorders HSD17B11, CYP19A1, ESR1 ALDH1A1 535/4885

“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.