SCHEMBL16623938

SCHEMBL16623938

COc1ccc(-c2cc(=O)c3c(OC)c(C=O)c(C=O)c(OC)c3o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
ABCB1 P08183 3/20 0.74
CYP3A4 P08684 3/20 0.74
ABCG2 Q9UNQ0 2/20 0.74
PKM P14618 1/20 0.74
MAPK1 P28482 3/20 0.64
PPARG P37231 2/20 0.64
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55

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
Tangeretin SCHEMBL19740 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AABCB1CYP3A4
Tangeretin SCHEMBL23629519 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AABCB1CYP3A4
Tangeretin SCHEMBL29549538 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AABCB1CYP3A4
SCHEMBL16623937 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AABCB1CYP3A4
SCHEMBL16623939 0.81 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AABCB1CYP3A4
SCHEMBL21981343 0.81 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AABCB1CYP3A4
SCHEMBL31237871 0.81 ALDH1A1 (0.81) ALDH1A1MEN1KMT2AABCB1CYP3A4
Tangeretin SCHEMBL28155119 0.80 ALDH1A1 (0.87) ALDH1A1MEN1KMT2AABCB1CYP3A4
SCHEMBL987020 0.79 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AABCB1CYP3A4
SCHEMBL31238014 0.79 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AABCB1CYP3A4

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.