SCHEMBL3071815

SCHEMBL3071815

CC1(C)Oc2ccc(CO)cc2NC1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.49
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
NPC1 O15118 1/20 0.44
BRD4 O60885 6/20 0.41
PARP1 P09874 1/20 0.40
CYP19A1 P11511 1/20 0.39
MAPT P10636 1/20 0.39
ABL1 P00519 1/20 0.38
SYK P43405 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL753822 0.88 BRD4 (0.50) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL5967445 0.86 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL13156581 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL27822550 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL8201424 0.83 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL8194163 0.82 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL8178991 0.81 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL26311411 0.80 PARP1 (0.39) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL295046 0.79 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL26311292 0.78 PARP1 (0.38) KDM4EALDH1A1SMN1; SMN2POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 KDM4E 1843/4885ALDH1A1 142/4885SMN1; SMN2 4291/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KDM4E 1843/4885ALDH1A1 142/4885SMN1; SMN2 4291/4885

“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.