SCHEMBL1079945

SCHEMBL1079945

ICc1nc(-c2ccccc2)oc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
USP1 O94782 1/20 0.42
USP19 O94966 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
RAB9A P51151 10/20 0.41
NPC1 O15118 9/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
GLA P06280 1/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
DHODH Q02127 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
TARBP2 Q15633 1/20 0.39
ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL1051296 0.90 RAB9A (0.53) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1051419 0.83 KDM4E (0.60) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4471443 0.81 NPC1 (0.54) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL10341496 0.80 ALDH1A1 (0.49) KDM4EUSP1USP19WDR48RAB9A
SCHEMBL1047012 0.79 KDM4E (0.64) KDM4ERAB9ANPC1HPGDHRH3
SCHEMBL7070626 0.78 KDM4E (0.46) KDM4EUSP1USP19WDR48RAB9A
SCHEMBL9755249 0.78 ALDH1A1 (0.50) KDM4EUSP1USP19WDR48RAB9A
SCHEMBL7796083 0.78 NOTUM (0.50) KDM4EUSP1USP19WDR48RAB9A
SCHEMBL7566190 0.78 NOTUM (0.50) KDM4EUSP1USP19WDR48RAB9A
SCHEMBL1047698 0.78 ALDH1A1 (0.54) KDM4ERAB9ANPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872034-B2 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-18 US disclosed
US-20080167354-A1 ARYLYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-10 US 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-20080167354-A1 ARYLYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, FFAR1, FFAR2 KDM4E 3088/4885USP1 2605/4885USP19 1956/4885

“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.