SCHEMBL14901501

SCHEMBL14901501

OCC(O)COc1ccc(-c2ccc(OCC(O)CCl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.69
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCD Q05655 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.41
ALDH2 P05091 1/20 0.41

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
SCHEMBL7088414 0.93 AR (0.58) ARALDH1A1HPGDMAPTHTT
SCHEMBL8811629 0.91 AR (0.56) ARALDH1A1HPGDMAPK1TSHR
SCHEMBL14901498 0.89 AR (0.69) ARALDH1A1MAPK1TSHRMAPT
SCHEMBL7090393 0.87 AR (0.64) ARALDH1A1HPGDMAPK1TSHR
SCHEMBL25158746 0.86 AR (0.66) ARMAPK1TSHRMAPTHTT
SCHEMBL30356266 0.86 AR (0.66) ARALDH1A1HPGDMAPK1TSHR
SCHEMBL30356354 0.86 AR (0.66) ARMAPK1TSHRMAPTHTT
SCHEMBL30372421 0.85 AR (0.64) ARALDH1A1HPGDMAPK1TSHR
SCHEMBL14901493 0.85 AR (0.64) ARALDH1A1MAPK1TSHRMAPT
SCHEMBL30372348 0.85 AR (0.64) ARALDH1A1HPGDMAPK1TSHR

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 AR 4/4885ALDH1A1 179/4885HPGD 286/4885

“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.