SCHEMBL14749128

SCHEMBL14749128

Cc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.73
KMT2A Q03164 8/20 0.73
CYP3A4 P08684 8/20 0.73
MEN1 O00255 7/20 0.73
KDM4E B2RXH2 7/20 0.73
IP6K2 Q9UHH9 6/20 0.73
ALDH1A1 P00352 6/20 0.73
HPGD P15428 6/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
TP53 P04637 6/20 0.73
CYP1A1 P04798 5/20 0.73
CYP1B1 Q16678 5/20 0.73
MAPK1 P28482 5/20 0.73
FLT3 P36888 5/20 0.73
MAOA P21397 5/20 0.73
MAOB P27338 5/20 0.73
CYP2D6 P10635 5/20 0.73
CYP2C9 P11712 5/20 0.73
CYP2C19 P33261 5/20 0.73
HSD17B10 Q99714 5/20 0.73

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
SCHEMBL31675833 0.90 ABCB1 (0.74) MAPTKMT2ACYP3A4MEN1KDM4E
SCHEMBL1144261 0.90 ABCB1 (0.74) MAPTKMT2ACYP3A4MEN1KDM4E
SCHEMBL20868304 0.88 MAPT (0.79) MAPTKMT2ACYP3A4MEN1KDM4E
SCHEMBL15850944 0.87 POLH (0.77) MAPTKMT2ACYP3A4MEN1KDM4E
Apigenin SCHEMBL29351464 0.84 KMT2A (1.00) MAPTKMT2ACYP3A4MEN1KDM4E
Apigenin SCHEMBL5083245 0.84 KMT2A (1.00) MAPTKMT2ACYP3A4MEN1KDM4E
Apigenin SCHEMBL19428 0.84 KMT2A (1.00) MAPTKMT2ACYP3A4MEN1KDM4E
SCHEMBL20868306 0.84 FTO (0.76) MAPTKMT2ACYP3A4MEN1KDM4E
Apigenin SCHEMBL31168790 0.83 KMT2A (0.97) MAPTKMT2ACYP3A4MEN1KDM4E
Apigenin SCHEMBL31477961 0.83 KMT2A (0.97) MAPTKMT2ACYP3A4MEN1KDM4E

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-20190100549-A1 FLAVONOIDE-TYPE COMPOUNDS BEARING AN O-RHAMNOSYL RESIDUE UNIVERSITAET HAMBURG (DE) 2019-04-04 US disclosed
US-9845482-B2 Compositions and methods for enhancing bioenergetic status in female germ cells THE GENERAL HOSPITAL CORPORATION (US) 2017-12-19 US disclosed
US-20140221319-A1 Small Molecule CD38 Inhibitors and Methods of Using Same MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-08-07 US disclosed
US-20130059384-A1 COMPOSITIONS AND METHODS FOR ENHANCING BIOENERGETIC STATUS IN FEMALE GERM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-07 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 (3 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-20140221319-A1 Small Molecule CD38 Inhibitors and Methods of Using Same CD38, CD22, CD2 MAPT 3783/4885KMT2A 1089/4885CYP3A4 4737/4885
US-20190100549-A1 FLAVONOIDE-TYPE COMPOUNDS BEARING AN O-RHAMNOSYL RESIDUE LRAT, TYR, CUTA MAPT 846/4885KMT2A 2491/4885CYP3A4 1264/4885
US-20130059384-A1 COMPOSITIONS AND METHODS FOR ENHANCING BIOENERGETIC STATUS IN FEMALE GERM CELLS PCK2, GSR, TFAM MAPT 4110/4885KMT2A 2889/4885CYP3A4 4339/4885

“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.