SCHEMBL14901488

SCHEMBL14901488

COCC(O)COc1ccc(-c2ccc(OCC(O)COC(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
NR3C1 P04150 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2J2 P51589 1/20 0.46
PDE4D Q08499 1/20 0.46
NR2E1 Q9Y466 1/20 0.46
ADRB3 P13945 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL14901485 0.90 POLB (0.46) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL14901482 0.90 POLB (0.55) ALDH1A1HPGDPOLBMAPTLMNA
SCHEMBL14901486 0.86 ADRB2 (0.43) ALDH1A1HPGDPOLBMAPTLMNA
SCHEMBL14901509 0.86 AR (0.51) ALDH1A1HPGDPOLBMAPTLMNA
SCHEMBL12267326 0.85 HTT (0.59) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL14901483 0.85 POLB (0.56) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL28727716 0.83 KDM1A (0.58) ALDH1A1MAPTLMNAADRB2ADRB1
SCHEMBL12517694 0.80 ADRB2 (0.46) ALDH1A1NPSR1ADRB2ADRB1NR3C1
SCHEMBL14901479 0.79 POLB (0.55) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL12267197 0.79 HTT (0.56) ALDH1A1POLBMAPTLMNANPSR1

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 179/4885HPGD 286/4885POLB 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.