SCHEMBL2443280

SCHEMBL2443280

CC(C)(C#N)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
HSD11B1 P28845 1/20 0.36
CTSK P43235 4/20 0.33
CHRM3 P20309 2/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
BRCA1 P38398 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1698111 0.88
SCHEMBL7353897 0.77 CYP1A2 (0.38) CYP1A2ALDH1A1HPGDSIGMAR1
SCHEMBL98091 0.77 CYP1A2 (0.38) CYP1A2ALDH1A1HPGDSIGMAR1
SCHEMBL1524628 0.75 CYP1A2 (0.48) CYP1A2HPGDSIGMAR1
SCHEMBL7471784 0.73 CYP1A2 (0.42) CYP1A2SIGMAR1
SCHEMBL24158012 0.73
SCHEMBL11434464 0.72 CTSK (0.41) CTSKCHRM3CTSLCTSBALDH1A1
SCHEMBL1643889 0.72 CYP1A2 (0.43) CYP1A2HSD17B10SIGMAR1
SCHEMBL2993593 0.71 CYP1A2 (0.41) CYP1A2MEN1ALDH1A1LMNAALOX12
SCHEMBL1698120 0.71 NSD2 (0.31) HSD11B1

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 17 patents. 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
EP-2940005-B1 NITRILE COMPOUND, METHOD OF PREPARATION THEREOF AND FRAGRANCE COMPOSITION COMPRISING THE NITRILE COMPOUND KAO CORP (JP) 2017-04-05 EP disclosed
CN-104884431-B Nitrile compound KAO CORP. (JP) 2016-11-30 CN disclosed
US-9447362-B2 Nitrile compound KAO CORPORATION (JP) 2016-09-20 US disclosed
US-20150353480-A1 NITRILE COMPOUND KAO CORPORATION (JP) 2015-12-10 US disclosed
EP-2940005-A1 NITRILE COMPOUND Kao Corporation (JP) 2015-11-04 EP disclosed
CN-104884431-A Nitrile compound KAO CORP 2015-09-02 CN 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-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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 (3 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-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CYP1A2 300/4885HSD11B1 2957/4885CTSK 2292/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CYP1A2 300/4885HSD11B1 2957/4885CTSK 2292/4885
US-20150353480-A1 NITRILE COMPOUND NOS1, NOS2, NOS3 CYP1A2 60/4885HSD11B1 2521/4885CTSK 4582/4885

“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.