SCHEMBL14901599

SCHEMBL14901599

OC(CCl)COc1ccccc1Oc1ccccc1OCC(O)CCl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.51
LMNA P02545 3/20 0.51
AGTR1 P30556 1/20 0.51
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
CYP2C19 P33261 2/20 0.45
NR2E1 Q9Y466 1/20 0.44
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRB3 P13945 1/20 0.41

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 0.94 CYP1A2 (0.56) CYP1A2LMNAAGTR1ALOX15KDM4E
SCHEMBL14901592 0.86 ADRB2 (0.49) CYP1A2LMNAAGTR1ALOX15KDM4E
SCHEMBL1496738 0.85 LMNA (0.72) CYP1A2LMNAAGTR1ALOX15KDM4E
SCHEMBL12516026 0.81 ADRB2 (0.52) CYP1A2LMNAAGTR1ALOX15KDM4E
SCHEMBL11200163 0.81 CYP1A2 (0.45) CYP1A2LMNAAGTR1ALOX15KDM4E
SCHEMBL1496691 0.81 KMT2A (0.57) CYP1A2LMNAAGTR1ALOX15KDM4E
SCHEMBL19703853 0.81 CYP1A2 (0.45) CYP1A2LMNAAGTR1ALOX15KDM4E
SCHEMBL1496612 0.81 KDM4E (0.72) CYP1A2LMNAALOX15KDM4EMEN1
SCHEMBL11819390 0.81 CYP1A2 (0.53) CYP1A2LMNAAGTR1ALOX15KDM4E
SCHEMBL11337572 0.81 ADRB2 (0.63) CYP1A2LMNAAGTR1ALOX15KDM4E

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 CYP1A2 806/4885LMNA 1050/4885AGTR1 1691/4885

“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.