SCHEMBL3663172

SCHEMBL3663172

CC([O])c1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
BRD4 O60885 1/20 0.48
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FLT3 P36888 1/20 0.46
CYP2A6 P11509 1/20 0.46
AOC3 Q16853 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
DAO P14920 2/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DDO Q99489 1/20 0.44
CA2 P00918 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL30733359 0.83 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL336690 0.83 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL4985929 0.83 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL6141109 0.80 ALOX5 (0.55) ALOX5BRD4KDM4ELMNATP53
SCHEMBL31299796 0.80 ALOX5 (0.55) ALOX5BRD4KDM4ELMNATP53
SCHEMBL3229357 0.80 ALOX5 (0.55) ALOX5BRD4KDM4ELMNATP53
SCHEMBL19981811 0.80 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53
SCHEMBL1706542 0.80 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53
SCHEMBL831428 0.79 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53
SCHEMBL12827519 0.79 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872930-A N-substituted 3,4-dihydroisoquinoline-1 (2H) -ketone derivative, composition thereof and application thereof in medicines 贵州医科大学 2023-03-31 CN claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
CN-115872930-A N-substituted 3,4-dihydroisoquinoline-1 (2H) -ketone derivative, composition thereof and application thereof in medicines 贵州医科大学 2023-03-31 CN disclosed
WO-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 ALOX5 72/4885BRD4 443/4885KDM4E 2766/4885

“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.