SCHEMBL14901592

SCHEMBL14901592

OC(CCl)COc1ccccc1-c1ccccc1OCC(O)CCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.49
RAB9A P51151 1/20 0.49
ADRB1 P08588 1/20 0.49
CYP1A2 P05177 5/20 0.49
KDM4E B2RXH2 2/20 0.49
AGTR1 P30556 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
CYP2C19 P33261 3/20 0.46
ALOX15 P16050 2/20 0.45
NR2E1 Q9Y466 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ADRA1A P35348 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 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
SCHEMBL11871935 0.92 CYP1A2 (0.56) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL14901599 0.86 CYP1A2 (0.51) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL12516026 0.83 ADRB2 (0.52) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL1496738 0.83 LMNA (0.72) CYP1A2KDM4EAGTR1LMNAKMT2A
SCHEMBL1496612 0.83 KDM4E (0.72) ADRB2RAB9AADRB1CYP1A2KDM4E
SCHEMBL1496691 0.83 KMT2A (0.57) CYP1A2KDM4EAGTR1LMNAKMT2A
SCHEMBL19703853 0.83 CYP1A2 (0.45) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL11200163 0.83 CYP1A2 (0.45) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL6358310 0.82 CYP1A2 (0.57) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL9778173 0.82 CYP1A2 (0.51) ADRB2RAB9AADRB1CYP1A2KDM4E

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 ADRB2 1348/4885RAB9A 3885/4885ADRB1 1203/4885

“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.