SCHEMBL1442018

SCHEMBL1442018

COc1ccc(C(=O)CCCCCBr)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HPGD P15428 5/20 0.54
CYP3A4 P08684 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 3/20 0.54
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 4/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
PGR P06401 2/20 0.51
SLC6A2 P23975 2/20 0.51
CYP2D6 P10635 1/20 0.51
PDE4A P27815 1/20 0.51
HRH1 P35367 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL9114685 0.99 NPC1 (0.57) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL9117437 0.89 NPC1 (0.57) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL9116063 0.89 NPC1 (0.57) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL1442749 0.89 NPC1 (0.57) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL9117394 0.89 NPC1 (0.57) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL3658257 0.87 HTT (0.70) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL9117204 0.87 NPC1 (0.58) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL3663202 0.87 HTT (0.70) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL3658080 0.87 HTT (0.70) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL3658608 0.87 HTT (0.70) NPC1RAB9AKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546402-B2 Chromone derivatives, a process for their preparation and their therapeutic applications SOKOLOFF PIERRE (FR) 2013-10-01 US disclosed
EP-2470520-B1 CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS PF MEDICAMENT (FR) 2013-07-17 EP disclosed
EP-2470520-A1 CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS Pierre Fabre Medicament (FR) 2012-07-04 EP disclosed
US-20120157463-A1 CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS PIERRE FABRE MEDICAMENT (FR) 2012-06-21 US disclosed
WO-2011027289-A1 CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS PIERRE FABRE MEDICAMENT (FR) 2011-03-10 WO disclosed
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 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-20120157463-A1 CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS CHRNA3, CHRM3, VDR NPC1 1370/4885RAB9A 2058/4885KMT2A 3560/4885

“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.