SCHEMBL2565240

SCHEMBL2565240

COc1ccccc1C(C#N)=C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 1/20 0.39
CTSD P07339 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 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
SCHEMBL4639985 0.96 NPC1 (0.40) NPC1MEN1KMT2AHTTALDH1A1
SCHEMBL6449905 0.84 SMN1; SMN2 (0.35) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL2333379 0.79 NPC1 (0.41) NPC1MEN1KMT2AHTTALDH1A1
SCHEMBL29411166 0.79 NPC1 (0.41) NPC1MEN1KMT2AHTTALDH1A1
SCHEMBL2565267 0.76 NPC1 (0.40) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL2565047 0.75 SMN1; SMN2 (0.39) NPC1MEN1KMT2AHTTALDH1A1
SCHEMBL14939422 0.75 ALDH1A1 (0.50) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4612699 0.71 NPSR1 (0.50) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL29090510 0.71 CES2 (0.47) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
Benzene SCHEMBL28160719 0.71 NPC1 (0.49) NPC1MEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890999-B1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2011-11-02 EP claimed
US-7655701-B2 Cycloalkylidene-(ortho substituted phenyl)-acetonitriles and their use as odorants GIVAUDAN SA (CH) 2010-02-02 US claimed
US-20080200554-A1 Cycloaklyldiene-(Ortho Substituted Phenyl)-Acetonitriles and Their Use as Odorants GIVAUDAN SA (CH) 2008-08-21 US claimed
EP-1890999-A1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS Givaudan SA (CH) 2008-02-27 EP claimed
WO-2006133592-A1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2006-12-21 WO claimed
EP-1890999-B1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2011-11-02 EP disclosed
US-7655701-B2 Cycloalkylidene-(ortho substituted phenyl)-acetonitriles and their use as odorants GIVAUDAN SA (CH) 2010-02-02 US disclosed
US-20080200554-A1 Cycloaklyldiene-(Ortho Substituted Phenyl)-Acetonitriles and Their Use as Odorants GIVAUDAN SA (CH) 2008-08-21 US disclosed
EP-1890999-A1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS Givaudan SA (CH) 2008-02-27 EP disclosed
WO-2006133592-A1 CYCLOAKYLIDENE- (ORTHO SUBSTITUTED PHENYL) -ACETONITRILES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2006-12-21 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-20080200554-A1 Cycloaklyldiene-(Ortho Substituted Phenyl)-Acetonitriles and Their Use as Odorants OR10J3, OR51E2, OPRD1 NPC1 2179/4885MEN1 3915/4885KMT2A 1526/4885

“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.