SCHEMBL5335645

SCHEMBL5335645

CCCCCc1[c]cccc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.49
PTGS2 P35354 4/20 0.49
PPARA Q07869 2/20 0.43
HTR1A P08908 1/20 0.40
SLC2A1 P11166 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ELANE P08246 1/20 0.37
PPARG P37231 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL12817362 0.95 ALOX5 (0.42) ALOX5PTGS2PPARAHTR1ADRD2
SCHEMBL7838938 0.87 CA1 (0.39) ALOX5PTGS2PPARAHTR1ADRD2
SCHEMBL64882 0.80 CA1 (0.42) ALOX5PTGS2DRD2DRD3
SCHEMBL8480841 0.79 ENPP2 (0.38) ALOX5PTGS2
SCHEMBL7664369 0.77 NPC1 (0.37) PTGS2
SCHEMBL815744 0.77 KCNH2 (0.40) PTGS2KCNH2
SCHEMBL406610 0.77 LIPG (0.46) ALOX5PTGS2PPARAPPARGKCNH2
SCHEMBL5206377 0.76 GABRA1 (0.39) ALOX5PTGS2HTR1ADRD2DRD3
SCHEMBL8093384 0.76 ABCB1 (0.47) ALOX5KCNH2
SCHEMBL21523319 0.75 LIPG (0.49) ALOX5PTGS2PPARAPPARGKCNH2

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-1438284-B1 SYNTHESIS OF ( )-2-((DIMETHYLAMINO)METHYL)-1-(ARYL)CYCLOHEXANOLS EURO CELTIQUE SA (LU) 2007-09-26 EP claimed
US-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents SCHNUTE MARK E (US) 2004-02-05 US disclosed
US-6653307-B2 Such as N-(4-chlorobenzyl)-6-(4-morpholinylmethyl)-4-oxo-1-phenyl-1,4-dihydro-3-quinolinecarboxamide for treatment of herpes virus; viral DNA polymerase inhibitors PHARMACIA & UPJOHN COMPANY 2003-11-25 US disclosed
EP-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 EP disclosed
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 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 (2 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-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 ALOX5 4135/4885PTGS2 2797/4885PPARA 4131/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L ALOX5 3614/4885PTGS2 2256/4885PPARA 4329/4885

“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.