SCHEMBL793712

SCHEMBL793712

CCOC(=O)NCCc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
GLA P06280 1/20 0.63
CES2 O00748 1/20 0.62
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TRPM8 Q7Z2W7 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
SCHEMBL8425754 0.89 HDAC1 (0.53) KMT2AGLACES2HDAC3HDAC4
SCHEMBL3240006 0.87 CES2 (0.66) KMT2AGLACES2HDAC1HDAC8
SCHEMBL4437059 0.82 CES2 (0.74) KMT2ACES2MAPTRXFP1ALDH1A1
SCHEMBL3723896 0.82 GLA (0.59) KMT2AGLACES2HDAC3HDAC4
SCHEMBL158220 0.82 HDAC3 (0.78) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL2732841 0.82 CYP1A2 (0.58) CES2HDAC1HDAC8MAPTRXFP1
SCHEMBL13652571 0.81 MTNR1A (0.62) CES2HDAC1HDAC8MAPTRXFP1
SCHEMBL761158 0.80 KDM4E (0.61) CES2MAPTRXFP1ALDH1A1HPGD
SCHEMBL28557038 0.79 MAPT (0.65) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL15466955 0.79 HDAC3 (0.59) KMT2AGLAHDAC3HDAC4HDAC1

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-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 KMT2A 660/4885GLA 2244/4885CES2 377/4885

“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.