SCHEMBL14901504

SCHEMBL14901504

CC(C)OCC(O)COc1ccc(Oc2ccc(OCC(O)CCl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR2E1 Q9Y466 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 2/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 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
SCHEMBL14901509 0.91 AR (0.51) ARMAPTPOLBLMNANPSR1
SCHEMBL14901502 0.87 AR (0.48) ARMAPTPOLBLMNANPSR1
SCHEMBL12517404 0.87 AR (0.58) ARMAPTPOLBLMNANPSR1
SCHEMBL14901485 0.86 POLB (0.46) MAPTPOLBLMNANPSR1NR2E1
SCHEMBL12267322 0.85 AR (0.72) ARMAPTPOLBLMNANPSR1
SCHEMBL14901500 0.85 LMNA (0.55) ARMAPTPOLBLMNANPSR1
SCHEMBL12517365 0.84 AR (0.54) ARMAPTPOLBLMNANPSR1
SCHEMBL7090393 0.81 AR (0.64) ARMAPTPOLBLMNANPSR1
SCHEMBL14901498 0.80 AR (0.69) ARMAPTPOLBLMNANPSR1
SCHEMBL1496811 0.80 MAPT (0.56) ARMAPTLMNAHTTHIF1A

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 4/4885MAPT 1962/4885POLB 388/4885

“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.