SCHEMBL15325820

SCHEMBL15325820

CCCCC(Nc1ccc(OC)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.47
CASR P41180 1/20 0.45
SLC2A1 P11166 2/20 0.43
KLK7 P49862 2/20 0.42
GPR88 Q9GZN0 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL8100060 0.86 CACNA2D1 (0.44) ALDH1A1MEN1KMT2ATDP1SLC2A1
SCHEMBL13944418 0.84 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ATDP1CASR
SCHEMBL6689198 0.84 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ATDP1CASR
SCHEMBL10780978 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATDP1CASR
SCHEMBL11400305 0.80 POLB (0.53) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL9709298 0.79 MEN1 (0.65) ALDH1A1MEN1KMT2APOLB
SCHEMBL21730504 0.78 MAPT (0.46) ALDH1A1MEN1KMT2ATDP1GAA
SCHEMBL8908084 0.77 KMT2A (0.79) ALDH1A1MEN1KMT2ATDP1GAA
SCHEMBL29183283 0.77 ALDH1A1 (0.55) ALDH1A1POLBPKM
SCHEMBL11697544 0.77 MEN1 (0.50) ALDH1A1MEN1KMT2ATDP1CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150073165-A1 CATALYST COMPOUNDS THE UNIVIERSITY OF LIVERPOOL (GB) 2015-03-12 US disclosed
US-20150073165-A1 CATALYST COMPOUNDS THE UNIVIERSITY OF LIVERPOOL (GB) 2015-03-12 US disclosed
WO-2013153408-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 WO 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-20150073165-A1 CATALYST COMPOUNDS NQO1, IDH2, IDH3B ALDH1A1 115/4885MEN1 262/4885KMT2A 1536/4885

“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.