SCHEMBL1130474

SCHEMBL1130474

CCCCc1ccc(/N=C/c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 1/20 0.45
PTGS2 P35354 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
GLA P06280 1/20 0.44
HSD11B1 P28845 1/20 0.43

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
SCHEMBL1130476 1.00 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL28281054 0.98 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL11128946 0.95 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL1871729 0.94 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CA1CA2
SCHEMBL1877158 0.94 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CA1CA2
SCHEMBL1877159 0.94 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CA1CA2
SCHEMBL12134960 0.93 ALDH1A1 (0.51) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL6635785 0.91 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL3620867 0.91 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B
SCHEMBL11524101 0.91 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018507-A Liquid crystal device, composition therefor, and method for preparing the composition AMERICAN MICRO-SYSTEMS, INC. (US) 1977-04-19 US claimed
US-8158135-B2 Imine based liquid crystals for the controlled release of bioactive materials FIRMENICH SA (CH) 2012-04-17 US disclosed
EP-2010231-B1 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH & CIE (CH) 2011-02-16 EP disclosed
US-20090306196-A1 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH SA (CH) 2009-12-10 US disclosed
EP-2010231-A2 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS Firmenich S.A. (CH) 2009-01-07 EP disclosed
WO-2007113711-A2 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH SA (CH) 2007-10-11 WO disclosed
US-4139259-A Light distributor for optical communication systems SIEMENS AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed
US-4018507-A Liquid crystal device, composition therefor, and method for preparing the composition AMERICAN MICRO-SYSTEMS, INC. (US) 1977-04-19 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 (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-20090306196-A1 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS BCHE, ACHE, LIPE CYP3A4 1225/4885CYP2D6 2375/4885CYP2C9 345/4885

“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.