SCHEMBL4429435

SCHEMBL4429435

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CCO)c(O)cc(O)c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.71
CCNB1 P14635 3/20 0.71
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
KDM4E B2RXH2 4/20 0.70
ALOX15 P16050 4/20 0.70
ALDH1A1 P00352 4/20 0.70
MAPT P10636 4/20 0.70
HPGD P15428 4/20 0.70
CYP19A1 P11511 3/20 0.70
SLCO2B1 O94956 2/20 0.70
APEX1 P27695 2/20 0.70
DAPK1 P53355 2/20 0.70
FBP1 P09467 2/20 0.70
GLA P06280 1/20 0.70
HSPD1 P10809 1/20 0.70
RAD52 P43351 1/20 0.70
HSPE1 P61604 1/20 0.70
TST Q16762 1/20 0.70
PDE5A O76074 2/20 0.68

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
Gossypetin SCHEMBL29419067 0.83 MEN1 (1.00) CDK1CCNB1MEN1KMT2AKDM4E
Gossypetin SCHEMBL29929428 0.83 MEN1 (1.00) CDK1CCNB1MEN1KMT2AKDM4E
Gossypetin SCHEMBL157033 0.83 MEN1 (1.00) CDK1CCNB1MEN1KMT2AKDM4E
SCHEMBL29462912 0.82 AMY1A (0.70) CDK1CCNB1MEN1KMT2AKDM4E
SCHEMBL15874292 0.82 CDK1 (0.89) CDK1CCNB1MEN1KMT2AKDM4E
Gossypetin SCHEMBL16782915 0.81 MEN1 (0.97) CDK1CCNB1MEN1KMT2AKDM4E
SCHEMBL15874555 0.81 CDK1 (0.83) CDK1CCNB1MEN1KMT2AKDM4E
SCHEMBL2686819 0.81 PDE5A (1.00) CDK1CCNB1MEN1KMT2AKDM4E
SCHEMBL13857095 0.79 MEN1 (0.77) CDK1CCNB1MEN1KMT2AKDM4E
SCHEMBL29575800 0.79 MEN1 (0.77) CDK1CCNB1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558922-B1 IDENTIFYING THERAPEUTIC COMPOUNDS BASED ON THEIR PHYSICAL-CHEMICAL PROPERTIES AMPERE LIFE SCIENCES INC (US) 2013-02-27 EP disclosed
US-20090162890-A1 IDENTIFYING THERAPEUTIC COMPOUNDS BASED ON THEIR PHYSICAL-CHEMICAL PROPERTIES EDISON PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-20090163529-A1 IDENTIFYING THERAPEUTIC COMPOUNDS BASED ON THEIR PHYSICAL-CHEMICAL PROPERTIES EDISON PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-7491312-B2 Identifying therapeutic compounds based on their physical-chemical properties EDISON PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
EP-1558922-A4 IDENTIFYING THERAPEUTIC COMPOUNDS BASED ON THEIR PHYSICAL-CHEMICAL PROPERTIES EDISON PHARMACEUTICALS INC (US) 2008-08-06 EP disclosed
EP-1558922-A2 IDENTIFYING THERAPEUTIC COMPOUNDS BASED ON THEIR PHYSICAL-CHEMICAL PROPERTIES Galileo Pharmaceuticals, Inc. (US) 2005-08-03 EP disclosed
US-20040105817-A1 Identifying therapeutic compounds based on their physical-chemical properties PTC THERAPEUTICS, INC. 2004-06-03 US disclosed
WO-2004042353-A2 IDENTIFYING THERAPEUTIC COMPOUNDS BASED ON THEIR PHYSICAL-CHEMICAL PROPERTIES GALILEO PHARMACEUTICALS, INC. (US) 2004-05-21 WO 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 (2 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-20040105817-A1 Identifying therapeutic compounds based on their physical-chemical properties ABCG2, MRPS34, MRPS35 CDK1 4289/4885CCNB1 3416/4885MEN1 3081/4885
US-20090163529-A1 IDENTIFYING THERAPEUTIC COMPOUNDS BASED ON THEIR PHYSICAL-CHEMICAL PROPERTIES ABCG2, MRPS34, MRPS35 CDK1 4289/4885CCNB1 3416/4885MEN1 3081/4885

“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.