SCHEMBL17071994

SCHEMBL17071994

CCOc1cc2cccc(O)c(=O)c2c(O)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.59
CDK2 P24941 2/20 0.59
THRB P10828 2/20 0.59
KDM4E B2RXH2 1/20 0.59
INPPL1 O15357 1/20 0.59
NSD2 O96028 1/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
PABPC1 P11940 1/20 0.59
PKM P14618 1/20 0.59
IDO1 P14902 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
PLCG1 P19174 1/20 0.59
TNNI3 P19429 1/20 0.59

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
SCHEMBL15556210 0.83 MAPT (0.65) MEN1KMT2AMAPTGAAALDH1A1
Purpurogallin SCHEMBL1950656 0.81 CDK2 (0.76) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL15555870 0.79 MAPT (0.59) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL12610418 0.79 MAPT (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL12610186 0.78 CDK2 (0.71) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL12610290 0.77 INPPL1 (0.59) MEN1KMT2AMAPTGAAALDH1A1
Purpurogallin SCHEMBL29481120 0.76 CDK2 (1.00) MEN1KMT2AMAPTGAAALDH1A1
Purpurogallin SCHEMBL33853 0.76 CDK2 (1.00) MEN1KMT2AMAPTGAAALDH1A1
Purpurogallin SCHEMBL2839450 0.73 CDK2 (0.93) MEN1KMT2AMAPTGAAALDH1A1
Purpurogallin SCHEMBL15560816 0.72 CDK2 (0.83) MEN1KMT2AMAPTGAAALDH1A1

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-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 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-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX TLR2, TLR1, TLR3 MEN1 4848/4885KMT2A 2587/4885MAPT 2900/4885

“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.