SCHEMBL3672340

SCHEMBL3672340

COC(=O)C(C)N([C]=O)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
KDM4E B2RXH2 5/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.41
ATP6V1B1 P15313 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FLT3 P36888 3/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.38
EGFR P00533 1/20 0.38
PIK3CA P42336 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3665626 0.85 KDM4E (0.44) KDM4ELMNATP53L3MBTL1ALOX5
SCHEMBL3663080 0.72 KMT2A (0.46) LMNATP53L3MBTL1SMN1; SMN2TSHR
SCHEMBL28663705 0.72 KDM4E (0.47) KDM4ELMNATP53L3MBTL1ALOX5
SCHEMBL9615925 0.71 TAS1R3 (0.44) TAS1R3TAS1R1KDM4ELMNATP53
SCHEMBL15661568 0.70 BRD4 (0.44) KDM4ESMN1; SMN2NPC1RAB9AFLT3
SCHEMBL19067175 0.70 KDM4E (0.46) KDM4ELMNATP53L3MBTL1ALOX5
SCHEMBL12764096 0.69 TAS1R3 (0.52) TAS1R3TAS1R1KDM4ELMNATP53
SCHEMBL5543820 0.69 TAS1R3 (0.52) TAS1R3TAS1R1KDM4ELMNATP53
SCHEMBL5449822 0.67 KDM4E (0.45) KDM4ELMNASMN1; SMN2FLT3TSHR
SCHEMBL5514982 0.67 TAS1R3 (0.50) TAS1R3TAS1R1KDM4ELMNATP53

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-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
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 TAS1R3 4700/4885TAS1R1 4564/4885KDM4E 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.