SCHEMBL14901530

SCHEMBL14901530

OCCOc1ccc(Sc2ccc(OCCCCl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
RECQL P46063 1/20 0.48
NR1I2 O75469 1/20 0.44
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
CYP3A4 P08684 3/20 0.41
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
NOD2 Q9HC29 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36

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
SCHEMBL14901533 0.90 KCNA3 (0.41) ALDH1A1GAASMN1; SMN2CYP3A4LMNA
SCHEMBL890770 0.90 ALDH1A1 (0.58) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL12517330 0.90 APP (0.49) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL10877572 0.85 ALDH1A1 (0.48) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL12517383 0.85 NR1H2 (0.52) LMNAAPP
SCHEMBL17787261 0.85 ALDH1A1 (0.52) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL14901529 0.84 ALDH1A1 (0.56) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL6903665 0.84 ALDH1A1 (0.45) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL10878453 0.83 ALDH1A1 (0.67) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL14901528 0.82 ALDH1A1 (0.54) ALDH1A1RECQLNR1I2GAASMN1; SMN2

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 1492/4885NR1I2 173/4885

“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.