SCHEMBL5349646

SCHEMBL5349646

COc1ccc(C(=O)n2cc(-c3ccc(C=O)o3)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
CREBBP Q92793 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
ACHE P22303 1/20 0.44
BLM P54132 1/20 0.43
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
HTR6 P50406 2/20 0.39
MGAM O43451 1/20 0.39
F12 P00748 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL5357412 0.89 ELANE (0.44) KMT2AKDM4EALDH1A1ACHETHRB
SCHEMBL5356842 0.88 KDM4E (0.49) KMT2AKDM4EALDH1A1ACHETHRB
SCHEMBL5354006 0.83 KMT2A (0.55) KMT2ACREBBPBRD9KDM4EALDH1A1
SCHEMBL28486883 0.78 KMT2A (0.69) KMT2ACREBBPBRD9KDM4EALDH1A1
SCHEMBL5357533 0.77 KMT2A (0.56) KMT2ACREBBPBRD9KDM4EALDH1A1
SCHEMBL5356625 0.72 KMT2A (0.45) KMT2AACHEHTR6ELANE
SCHEMBL13302242 0.72 KMT2A (0.79) KMT2AKDM4EALDH1A1BLMMEN1
SCHEMBL7479822 0.69 HTR6 (0.80) KMT2ACREBBPBRD9KDM4EACHE
SCHEMBL5358132 0.69 DYRK1A (0.47) KMT2ACREBBPKDM4EALDH1A1ACHE
SCHEMBL8482779 0.68 HTR6 (0.54) KMT2ACREBBPKDM4EALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176230-B2 Synthesis of indole analogs of 1-benzyl-3-(5′-hydroxymethyl-2′-furyl) indazole (YC-1) as anti-platelet agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2007-02-13 US disclosed
US-20060106041-A1 Synthesis of indole analogs of 1-benzyl-3-(5'-hydroxymethy 1-2' -furyl) indazole (YC-1) as anti-platelet agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2006-05-18 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-20060106041-A1 Synthesis of indole analogs of 1-benzyl-3-(5'-hydroxymethy 1-2' -furyl) indazole (YC-1) as anti-platelet agents PFKP, HMOX1, TPH1 KMT2A 2910/4885CREBBP 1010/4885BRD9 1218/4885

“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.