SCHEMBL10037557

SCHEMBL10037557

COC(=O)[C@H]1c2ccccc2O[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 2/20 0.44
POLB P06746 2/20 0.44
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.40
NR3C1 P04150 1/20 0.40
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
PDE4D Q08499 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PTPN1 P18031 1/20 0.38
PTGES O14684 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10655087 0.84 TSHR (0.56) POLBCYP2D6CYP2C19MEN1KMT2A
SCHEMBL10655079 0.84 TSHR (0.56) POLBCYP2D6CYP2C19MEN1KMT2A
SCHEMBL10655102 0.84 TSHR (0.56) POLBCYP2D6CYP2C19MEN1KMT2A
SCHEMBL15256137 0.82 ALDH1A1 (0.49) CYP3A4ALOX15POLBCYP2D6MEN1
SCHEMBL4948273 0.82 EDNRA (0.44) POLBCYP2C9KMT2AATMBRD4
SCHEMBL24766470 0.81 ATM (0.41) POLBCYP2D6CYP2C19CYP2C9MEN1
SCHEMBL30683831 0.81 ALDH1A1 (0.46) CYP3A4ALOX15POLBCYP2C9MEN1
SCHEMBL30364709 0.79 ALDH1A1 (0.39) CYP3A4ALOX15POLBCYP2C19CYP2C9
SCHEMBL16361323 0.79 ALDH1A1 (0.39) CYP3A4ALOX15POLBCYP2C19CYP2C9
SCHEMBL14146167 0.74 POLB (0.48) CYP3A4POLBCYP2D6CYP2C19CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 US disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 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-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST PYM1, ARG1, SCO2 CYP3A4 1173/4885ALOX15 1904/4885POLB 956/4885

“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.