SCHEMBL14901528

SCHEMBL14901528

OCCOc1ccc(Oc2ccc(OCCCCl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
RECQL P46063 1/20 0.54
LTA4H P09960 7/20 0.50
NR1I2 O75469 1/20 0.48
GAA P10253 1/20 0.46
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLA2G2A P14555 1/20 0.42
PPARA Q07869 1/20 0.40
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 2/20 0.40

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
SCHEMBL14901529 0.89 ALDH1A1 (0.56) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL12517382 0.89 LTA4H (0.56) LTA4HPLA2G2APPARA
SCHEMBL347186 0.89 ALDH1A1 (0.65) ALDH1A1RECQLLTA4HNR1I2GAA
SCHEMBL12517331 0.89 APP (0.53) ALDH1A1RECQLLTA4HNR1I2CYP3A4
SCHEMBL27982425 0.87 ALDH1A1 (0.62) ALDH1A1RECQLLTA4HNR1I2GAA
Ethylene Glycol SCHEMBL27348084 0.87 ALDH1A1 (0.62) ALDH1A1RECQLLTA4HNR1I2GAA
SCHEMBL12517398 0.83 LTA4H (0.71) LTA4H
SCHEMBL11538545 0.83 LTA4H (0.54) ALDH1A1RECQLLTA4HNR1I2GAA
SCHEMBL14901530 0.82 ALDH1A1 (0.48) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL28106819 0.82 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 US disclosed
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 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-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE SHBG, KLK3, HSD17B11 ALDH1A1 179/4885RECQL 1492/4885LTA4H 2660/4885

“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.