SCHEMBL89061

SCHEMBL89061

CCCCC(=O)Nc1cc(CC)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
MTNR1B P49286 3/20 0.54
MTNR1A P48039 2/20 0.54
CNR1 P21554 3/20 0.52
CNR2 P34972 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL90352 0.90 KMT2A (0.55) KMT2APOLBMTNR1BMTNR1ACNR1
SCHEMBL90347 0.89 KMT2A (0.54) KMT2APOLBMTNR1BMTNR1ACNR1
SCHEMBL1911374 0.89 KMT2A (0.54) KMT2APOLBMTNR1BMTNR1ACNR1
SCHEMBL15087924 0.89 KMT2A (0.54) KMT2APOLBMTNR1BMTNR1ACNR1
SCHEMBL89611 0.82 TSHR (0.51) KMT2APOLBMTNR1BMTNR1ACNR1
SCHEMBL13753200 0.78 MTNR1B (0.75) KMT2AMTNR1BMTNR1AL3MBTL1MEN1
SCHEMBL11304280 0.78 ALDH1A1 (0.62) KMT2AMEN1KDM4EHPGDSMN1; SMN2
SCHEMBL13753202 0.77 L3MBTL1 (0.84) KMT2AMTNR1BMTNR1ACNR1CNR2
SCHEMBL1754887 0.75 KMT2A (0.62) KMT2APOLBMTNR1BMTNR1AL3MBTL1
SCHEMBL16479313 0.75 L3MBTL1 (0.53) KMT2AMTNR1BMTNR1ACNR1CNR2

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 KMT2A 3129/4885POLB 589/4885MTNR1B 692/4885

“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.