SCHEMBL2564307

SCHEMBL2564307

Cc1ccc(C(C#N)=C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MAPT P10636 5/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
RECQL P46063 1/20 0.37
PROKR1 Q8TCW9 3/20 0.36
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
HCRTR1 O43613 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL28626730 0.83 CYP19A1 (0.43) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL29090498 0.81 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL31512564 0.81 OGG1 (0.39) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
Benzene SCHEMBL28160719 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL586754 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL4612699 0.81 NPSR1 (0.50) RAB9ASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL29090508 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL2563329 0.80 FAAH (0.44) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL3210075 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL14039814 0.77 EGFR (0.44) NPC1RAB9ASMN1; SMN2MAPTCYP1A2

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-109642184-A Product including plastic containers and composition of matter 西姆莱斯有限公司 2019-04-16 CN claimed
US-20100021413-A1 Malodor Counteracting Compositions GIVAUDAN SA (CH) 2010-01-28 US claimed
EP-2086594-A1 MALODOR COUNTERACTING COMPOSITIONS Givaudan SA (CH) 2009-08-12 EP claimed
WO-2008055372-A1 MALODOR COUNTERACTING COMPOSITIONS GIVAUDAN SA (CH) 2008-05-15 WO claimed
CN-109642184-A Product including plastic containers and composition of matter 西姆莱斯有限公司 2019-04-16 CN disclosed
EP-3218457-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan S.A. (CH) 2017-09-20 EP disclosed
WO-2016074695-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-05-19 WO disclosed
CN-101198585-B Cycloakylidene- (ortho substituted phenyl) -acetonitriles and their use as odorants GIVAUDAN S.A. (CH) 2011-12-07 CN disclosed
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-20100021413-A1 Malodor Counteracting Compositions GIVAUDAN SA (CH) 2010-01-28 US disclosed
EP-2086594-A1 MALODOR COUNTERACTING COMPOSITIONS Givaudan SA (CH) 2009-08-12 EP disclosed
US-20080200554-A1 Cycloaklyldiene-(Ortho Substituted Phenyl)-Acetonitriles and Their Use as Odorants GIVAUDAN SA (CH) 2008-08-21 US disclosed
CN-101198585-A Cycloakylidene- (ortho substituted phenyl) -acetonitriles and their use as odorants GIVAUDAN SA (CH) 2008-06-11 CN disclosed
WO-2008055372-A1 MALODOR COUNTERACTING COMPOSITIONS GIVAUDAN SA (CH) 2008-05-15 WO 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 2179/4885RAB9A 4166/4885SMN1; SMN2 3788/4885

“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.