SCHEMBL16233003

SCHEMBL16233003

COCCCOc1ccc(C(C)(C)c2ccc(OCCCO)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 8/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.49
HTT P42858 2/20 0.47
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL17912 0.91 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL26736145 0.88 SMN1; SMN2 (0.62) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL28959621 0.88 NR1I2 (0.46) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL19978962 0.86 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7261016 0.85 CYP3A4 (0.55) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL15037994 0.85 SMN1; SMN2 (0.58) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL18614940 0.85 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL22091891 0.84 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
1,3-Propanediol SCHEMBL17704098 0.84 SMN1; SMN2 (0.62) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL16004370 0.83 AR (0.58) KDM4EALDH1A1SMN1; SMN2LMNAMEN1

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-20140335080-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-13 US disclosed
US-20140335080-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-13 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-20140335080-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, ESRRA, KLK3 KDM4E 923/4885ALDH1A1 1270/4885SMN1; SMN2 3294/4885

“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.