SCHEMBL1188511

SCHEMBL1188511

CCCCCc1c[c]cc(CCCCC)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
NOS2 P35228 1/20 0.37
CYP19A1 P11511 6/20 0.36
CYP3A4 P08684 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
MIF P14174 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
SCHEMBL1189180 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1188096 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1187994 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1187572 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1189000 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1187937 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1187641 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1186843 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1187823 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1
SCHEMBL1188686 0.98 KCNH2 (0.61) KCNH2CYP19A1CYP3A4PTGS2ALDH1A1

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 6 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-2008113753-A1 METHOD FOR THE PRODUCTION OF RYLENE TETRACARBOXYLIC ACID DIIMIDES THE IMIDE NITROGENS OF WHICH CARRY HYDROGEN ATOMS AND THE USE THEREOF BASF SE (DE) 2008-09-25 WO 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 2789/4885CYP19A1 3088/4885

“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.