SCHEMBL6885591

SCHEMBL6885591

COc1cc(CC=O)c(OCc2ccccc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
PTGER4 P35408 2/20 0.46
PTGER2 P43116 2/20 0.46
APP P05067 2/20 0.46
ERN1 O75460 1/20 0.46
PTGER3 P43115 1/20 0.46
ELANE P08246 1/20 0.46
CTSG P08311 1/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
SRD5A1 P18405 1/20 0.45

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
SCHEMBL4772578 0.89 ERN1 (0.50) NPC1HPGDRAB9ASMN1; SMN2HTR1A
SCHEMBL6620053 0.86 PTGER4 (0.48) NPC1HPGDRAB9ASMN1; SMN2PTGER4
SCHEMBL3952955 0.86 SMN1; SMN2 (0.45) NPC1HPGDRAB9ASMN1; SMN2HTR1A
SCHEMBL6886238 0.84 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2HTR1AADRA1D
SCHEMBL3950505 0.84 PTGER4 (0.62) NPC1HPGDRAB9ASMN1; SMN2ABCB1
SCHEMBL6887763 0.83 HDAC8 (0.53) NPC1RAB9ASMN1; SMN2HTR1AABCB1
SCHEMBL1578301 0.82 NPC1 (0.47) NPC1HPGDRAB9ASMN1; SMN2HTR1A
SCHEMBL3952879 0.82 ALDH1A1 (0.57) HPGDRAB9ASMN1; SMN2HTR1AADRA1D
SCHEMBL3955426 0.82 GLRA1 (0.44) NPC1RAB9ASMN1; SMN2HTR1AADRA1D
SCHEMBL4770022 0.82 ALOX5AP (0.46) NPC1HPGDRAB9ASMN1; SMN2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 NPC1 2230/4885HPGD 2090/4885RAB9A 3127/4885

“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.