SCHEMBL14901491

SCHEMBL14901491

CCCCOCCOCC(O)COc1ccc(Sc2ccc(OCC(O)COC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CASR P41180 1/20 0.41
RARB P10826 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NR3C1 P04150 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2J2 P51589 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL14901490 0.88 PLA2G4B (0.49) PLA2G4BKDM4EMAPK1TDP1CASR
SCHEMBL14901494 0.88 RARB (0.51) PLA2G4BKDM4EMAPK1TDP1CASR
SCHEMBL14901480 0.86 POLB (0.50) PLA2G4BKDM4ELMNAPOLBMAPT
SCHEMBL12761210 0.85 PLA2G4B (0.43) PLA2G4BKDM4EMAPK1TDP1CASR
SCHEMBL14901489 0.83 PLA2G4B (0.57) PLA2G4BKDM4EMAPK1TDP1RARB
SCHEMBL12267321 0.83 HTT (0.54) PLA2G4BKDM4EMAPK1TDP1CASR
SCHEMBL17563457 0.79 PLA2G4B (0.54) PLA2G4BKDM4EMAPK1TDP1CASR
Febuprol SCHEMBL1229179 0.79 PLA2G4B (0.57) PLA2G4BKDM4EMAPK1TDP1LMNA
SCHEMBL7171686 0.78 PLA2G4B (0.60) PLA2G4BKDM4EMAPK1TDP1CASR
SCHEMBL14901486 0.78 ADRB2 (0.43) CASRLMNAPOLBMAPTNPSR1

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 PLA2G4B 804/4885KDM4E 1393/4885MAPK1 3831/4885

“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.