SCHEMBL5712482

SCHEMBL5712482

C=CCCc1cccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
KCNH2 Q12809 2/20 0.37
HSD17B3 P37058 1/20 0.36
NOS1 P29475 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
NPC1 O15118 1/20 0.34
GRM5 P41594 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL24916774 0.81 CCR1 (0.52) SMN1; SMN2CCR1CCR8NOS2NOS3
SCHEMBL30201993 0.81 CCR1 (0.52) SMN1; SMN2CCR1CCR8NOS2NOS3
SCHEMBL6193822 0.81 SMN1; SMN2 (0.45) SMN1; SMN2CCR1CCR8NOS2NOS3
SCHEMBL17429701 0.80 CCR1 (0.43) SMN1; SMN2CCR1CCR8NOS2NOS3
SCHEMBL10144469 0.79 KCNH2 (0.54) SMN1; SMN2CCR1CCR8NOS2NOS3
SCHEMBL7029816 0.78 KCNH2 (0.35) NOS2KCNH2NOS1ALDH1A1NPSR1
SCHEMBL832445 0.78 SMN1; SMN2 (0.45) SMN1; SMN2CCR1CCR8NOS2NOS3
SCHEMBL7799450 0.77 NOS2 (0.43) NOS2NOS3KCNH2NOS1GRM4
SCHEMBL7798225 0.76 PDE10A (0.37) NOS2KCNH2NOS1
SCHEMBL427622 0.75 KCNH2 (0.52) SMN1; SMN2CCR1CCR8NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735352-B1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CALIFORNIA INST OF TECHN (US) 2019-08-21 EP disclosed
US-9238709-B2 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand MATERIA, INC. (US) 2016-01-19 US disclosed
US-20150141603-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-8871879-B2 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand MATERIA, INC. (US) 2014-10-28 US disclosed
US-20130296511-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 US disclosed
CN-101090915-A Latent, high-activity olefin metathesis catalysts containing an n-heterocyclic carbene ligand CALIFORNIA INST OF TECHN (US) 2007-12-19 CN disclosed
EP-1735352-A2 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-12-27 EP disclosed
US-20050261451-A1 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-11-24 US disclosed
WO-2005094345-A2 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-10-13 WO disclosed
EP-0993466-B1 RUTHENIUM AND OSMIUM CATALYSTS CIBA SC HOLDING AG (CH) 2003-11-05 EP disclosed
US-6306987-B1 Ruthenium and osmium catalysts CIBA SPECIALTY CHEMICALS CORPORATION 2001-10-23 US disclosed
EP-0993466-A1 RUTHENIUM AND OSMIUM CATALYSTS Ciba SC Holding AG (CH) 2000-04-19 EP disclosed
WO-1999000397-A1 RUTHENIUM AND OSMIUM CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-01-07 WO disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 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-20050261451-A1 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand CDK8, LTC4S, ZCCHC8 SMN1; SMN2 4544/4885CCR1 1440/4885CCR8 251/4885
US-20130296511-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CDK8, LTC4S, ZCCHC8 SMN1; SMN2 4544/4885CCR1 1440/4885CCR8 251/4885
US-20150141603-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CDK8, LTC4S, ZCCHC8 SMN1; SMN2 4544/4885CCR1 1440/4885CCR8 251/4885

“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.