SCHEMBL1187352

SCHEMBL1187352

[CH2]CCCc1nc(CCCCC)cc(CCCCC)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
NOS2 P35228 1/20 0.40
GPR84 Q9NQS5 5/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PTGS2 P35354 3/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PPARA Q07869 1/20 0.32
HRH2 P25021 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL1188688 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188814 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188020 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1186868 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1187574 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188914 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188509 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1187612 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1188915 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2
SCHEMBL1189648 0.98 KCNH2 (0.47) KCNH2NOS2GPR84ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 US disclosed
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2011-02-24 US disclosed
EP-2008319-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2008-12-31 EP disclosed
WO-2007116001-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-10-18 WO disclosed
EP-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 EP 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-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 KCNH2 3391/4885NOS2 2789/4885GPR84 2852/4885

“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.