SCHEMBL3071599

SCHEMBL3071599

COc1ccc(C(C)=NOCCOC2CCCCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
PDE4D Q08499 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MDM2 Q00987 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL3071597 1.00 KMT2A (0.49) KMT2AMEN1RAB9ANPC1PPARG
SCHEMBL3083559 0.87 L3MBTL1 (0.47) KMT2AMEN1RAB9ANPC1PPARG
SCHEMBL3083561 0.87 L3MBTL1 (0.47) KMT2AMEN1RAB9ANPC1PPARG
SCHEMBL8304479 0.84 NPC1 (0.43) KMT2AMEN1RAB9ANPC1L3MBTL1
SCHEMBL3088343 0.83 KDM4C (0.48) KMT2AMEN1RAB9ANPC1PPARG
SCHEMBL3088344 0.83 KDM4C (0.48) KMT2AMEN1RAB9ANPC1PPARG
SCHEMBL3071801 0.80 MAPT (0.43) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3071803 0.80 MAPT (0.43) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL8304680 0.78 MEN1 (0.42) KMT2AMEN1RAB9ANPC1L3MBTL1
SCHEMBL8309324 0.77 MEN1 (0.41) KMT2AMEN1RAB9ANPC1L3MBTL1

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-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-09-09 US claimed
US-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-09-09 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-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES HPD, TRHDE, BPHL KMT2A 3039/4885MEN1 2384/4885RAB9A 3285/4885

“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.