SCHEMBL13445691

SCHEMBL13445691

C=C1C=CC(O)(c2cc(=O)c3c(O)cc(O)cc3o2)C=C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.80
▸ MAPT P10636 7/20 0.80
▸ LMNA P02545 4/20 0.80
▸ NPC1 O15118 3/20 0.80
▸ RAB9A P51151 2/20 0.80
▸ XBP1 P17861 1/20 0.80
▸ HTT P42858 1/20 0.80
▸ GSTO1 P78417 1/20 0.80
▸ MEN1 O00255 7/20 0.45
▸ CYP3A4 P08684 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 5/20 0.45
▸ TP53 P04637 5/20 0.45
▸ CYP2D6 P10635 5/20 0.45
▸ CYP2C9 P11712 5/20 0.45
▸ CYP2C19 P33261 5/20 0.45
▸ ABCB1 P08183 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ FTO Q9C0B1 4/20 0.45

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
Protoapigenone SCHEMBL13066080 0.89 KMT2A (1.00) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL15395253 0.81 KMT2A (0.71) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL15395297 0.76 HTT (0.76) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL2874820 0.75 MAPT (0.74) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL2874541 0.72 MAPT (0.71) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL13066079 0.71 MAPT (0.67) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL15395350 0.71 MAPT (0.57) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL22738310 0.69 MEN1 (0.75) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL2427225 0.69 KMT2A (0.54) KMT2AMAPTLMNANPC1RAB9A
SCHEMBL30931536 0.69 PTGS1 (0.55) KMT2AMAPTLMNANPC1RAB9A

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-20100062078-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER AND THE SIGNALING PATHWAY THEREOF Yuan, Shyng-Shiou (TW) 2010-03-11 — — 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-20100062078-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER AND THE SIGNALING PATHWAY THEREOF MAPK3, CASP3, MAPK4 KMT2A 3972/4885MAPT 1999/4885LMNA 2064/4885

“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.

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