SCHEMBL2112673

SCHEMBL2112673

COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=NN)c1O2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.67
ALDH1A1 P00352 6/20 0.67
MAPT P10636 6/20 0.67
KMT2A Q03164 6/20 0.67
TDP1 Q9NUW8 6/20 0.67
KDM4E B2RXH2 5/20 0.67
HPGD P15428 5/20 0.67
ALOX15 P16050 2/20 0.67
HSD17B10 Q99714 2/20 0.67
LMNA P02545 1/20 0.67
CYP3A4 P08684 4/20 0.43
THRB P10828 3/20 0.43
RECQL P46063 3/20 0.43
PHPT1 Q9NRX4 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
SERPINE1 P05121 6/20 0.43
CDK2 P24941 5/20 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
SCHEMBL2112670 1.00 MEN1 (0.67) MEN1ALDH1A1MAPTKMT2ATDP1
Psoromic Acid SCHEMBL2113679 0.89 MAPT (0.71) MEN1ALDH1A1MAPTKMT2ATDP1
Psoromic Acid SCHEMBL29934794 0.89 MAPT (0.71) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL2113128 0.86 MEN1 (0.60) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL2113567 0.83 KDM4E (0.56) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL2111335 0.82 MAPT (0.55) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL2114548 0.82 MEN1 (0.55) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL2111333 0.82 MAPT (0.55) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL2114540 0.82 KDM4E (0.58) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL2114176 0.81 ALDH1A1 (0.54) MEN1ALDH1A1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 EP 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-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME GPR119, CYP11B1, HSD11B1 MEN1 730/4885ALDH1A1 1503/4885MAPT 4246/4885

“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.