SCHEMBL2445922

SCHEMBL2445922

CCC(C(=O)C(C)C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HSD17B10 Q99714 1/20 0.54
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
KCNQ2 O43526 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 3/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4A O75164 1/20 0.47
BCHE P06276 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL13379420 1.00 LMNA (0.54) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL13379421 1.00 LMNA (0.54) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL4935067 0.92 LMNA (0.61) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL23658188 0.82 TAAR1 (0.50) LMNAHSD17B10GAA
SCHEMBL6246550 0.82 LMNA (0.49) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL2439835 0.82 POLB (0.53) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL1715 0.81 LMNA (0.59) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL20769804 0.81 LMNA (0.59) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL65737 0.81 LMNA (0.59) LMNAHSD17B10CRHBPCRHR2ALDH1A1
SCHEMBL67237 0.81 LMNA (0.59) LMNAHSD17B10CRHBPCRHR2ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests BASF SE (DE) 2009-03-19 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (7 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP LMNA 3429/4885HSD17B10 1968/4885CRHBP 1173/4885
US-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 LMNA 2578/4885HSD17B10 1879/4885CRHBP 2524/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 LMNA 1082/4885HSD17B10 2002/4885CRHBP 2537/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 LMNA 2578/4885HSD17B10 1879/4885CRHBP 2524/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 LMNA 4386/4885HSD17B10 4567/4885CRHBP 3848/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP LMNA 3429/4885HSD17B10 1968/4885CRHBP 1173/4885
US-20090075819-A1 Indanyl- and Tetrahydronaphtyl-amino-thiourea Compounds for Combating Animal Pests AHCYL1, AHCY, TST LMNA 4241/4885HSD17B10 4321/4885CRHBP 3871/4885

“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.