SCHEMBL16623937

SCHEMBL16623937

COc1cc(-c2cc(=O)c3c(OC)c(C=O)c(C=O)c(OC)c3o2)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CYP3A4 P08684 3/20 0.61
MAPT P10636 3/20 0.61
ABCB1 P08183 3/20 0.61
ABCG2 Q9UNQ0 3/20 0.61
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
ELANE P08246 1/20 0.54
PKM P14618 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.49

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
SCHEMBL16623938 0.83 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL12195283 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL16549450 0.77 ALDH1A1 (0.81) ALDH1A1MEN1KMT2ACYP3A4MAPT
Nobiletin SCHEMBL244029 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP3A4MAPT
Nobiletin SCHEMBL29374681 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP3A4MAPT
Nobiletin SCHEMBL22092292 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP3A4MAPT
Nobiletin SCHEMBL30049905 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP3A4MAPT
Nobiletin SCHEMBL30049859 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL684139 0.74 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL13140966 0.74 TUBB4A (0.56) ALDH1A1MEN1KMT2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150098926-A1 Methods of Treating Hepatitis C Virus Infection THE J. DAVID GLADSTONE INSTITUTES 2015-04-09 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-20150098926-A1 Methods of Treating Hepatitis C Virus Infection HAVCR2, LIPC, FABP1 ALDH1A1 908/4885MEN1 4813/4885KMT2A 3148/4885

“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.