SCHEMBL1658628

SCHEMBL1658628

CCOC(=O)c1cc(OC)c(OCc2ccccc2)cc1C(=O)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SCN9A Q15858 2/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CSF1R P07333 1/20 0.48

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
SCHEMBL1656216 0.86 APP (0.53) APPNPC1RAB9ASCN9AMEN1
SCHEMBL12791593 0.85 APP (0.56) APPNPC1RAB9ASCN9AMEN1
SCHEMBL1655700 0.85 NPC1 (0.58) APPNPC1RAB9ASCN9AMEN1
SCHEMBL12792438 0.84 NPC1 (0.57) APPNPC1RAB9ASCN9AMEN1
SCHEMBL12082050 0.83 SCN9A (0.56) APPNPC1RAB9ASCN9AMEN1
SCHEMBL12082137 0.83 SCN9A (0.56) APPNPC1RAB9ASCN9AMEN1
SCHEMBL12082044 0.82 SCN9A (0.57) APPNPC1RAB9ASCN9AMEN1
SCHEMBL12791622 0.81 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2NPSR1HSD17B10
SCHEMBL1655891 0.81 ATM (0.54) APPNPC1RAB9AMEN1KMT2A
SCHEMBL12082246 0.80 HPGD (0.49) APPNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-20110172208-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed
EP-2305633-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2011-04-06 EP 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-20110172208-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP3A5, CYP2D6 APP 2474/4885NPC1 1305/4885RAB9A 1639/4885

“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.