SCHEMBL2113620

SCHEMBL2113620

COc1ccc2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 8/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
HPGD P15428 7/20 0.51
KDM4E B2RXH2 6/20 0.51
TDP1 Q9NUW8 6/20 0.51
CYP3A4 P08684 5/20 0.51
PHPT1 Q9NRX4 2/20 0.51
ALOX12 P18054 2/20 0.51
SLCO1B3 Q9NPD5 2/20 0.51
SLCO1B1 Q9Y6L6 2/20 0.51
CASP1 P29466 1/20 0.51
MED25 Q71SY5 1/20 0.51
THRB P10828 4/20 0.50
RECQL P46063 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 2/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50

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
SCHEMBL17975279 0.87 MEN1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL13342686 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
Mollicellin L SCHEMBL30555986 0.79 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
Psoromic Acid SCHEMBL29934794 0.79 MAPT (0.71) ALDH1A1MAPTMEN1KMT2AHPGD
Psoromic Acid SCHEMBL2113679 0.79 MAPT (0.71) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2111729 0.78 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2114540 0.78 KDM4E (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2114883 0.77 KDM4E (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2112898 0.77 MEN1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2113411 0.76 KDM4E (0.56) ALDH1A1MAPTMEN1KMT2AHPGD

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 ALDH1A1 1503/4885MAPT 4246/4885MEN1 730/4885

“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.