SCHEMBL4253556

SCHEMBL4253556

CCCCOc1[c]c(OCCCC)cc(OCCCC)[c]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NR5A1 Q13285 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR1 P03372 1/20 0.33
CYP19A1 P11511 1/20 0.33
AHR P35869 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 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
SCHEMBL4253734 0.89 CSNK2A1 (0.34) LTA4H
SCHEMBL4260892 0.77 NQO1 (0.38) THRBHSD17B10CYP3A4TSHR
SCHEMBL17164320 0.72 TSHR (0.33) LTA4HTHRATHRBCYP1A2CYP2C9
SCHEMBL8775498 0.72 AHR (0.39) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL677726 0.71 LTA4H (0.45) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL17164310 0.71 CCNB2 (0.33) LTA4HTHRATHRBCYP1A2CYP2C9
SCHEMBL2094448 0.71 PLA2G2A (0.51) LTA4HTHRATHRBNR5A1ESR1
SCHEMBL20819718 0.71 PLA2G2A (0.51) LTA4HTHRATHRBNR5A1ESR1
SCHEMBL1664174 0.71 PLA2G2A (0.51) LTA4HTHRATHRBNR5A1ESR1
SCHEMBL1451296 0.71 PLA2G2A (0.51) LTA4HTHRATHRBNR5A1ESR1

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
EP-1542975-B1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF SE (DE) 2016-03-09 EP disclosed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-7446198-B2 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AKTIENGESELLSCHAFT (DE) 2008-11-04 US disclosed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 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 (2 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-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES CA9, F9, CA13 LTA4H 3941/4885THRA 3793/4885THRB 4162/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 LTA4H 2495/4885THRA 1645/4885THRB 903/4885

“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.