SCHEMBL1187302

SCHEMBL1187302

[CH2]c1cc(CCCC)c(CCCC)c(CCCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TYR P14679 3/20 0.39
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
SKP2 Q13309 1/20 0.34
MAPT P10636 4/20 0.33
TLR8 Q9NR97 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1186746 0.93 ALOX5 (0.40) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1187536 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53
SCHEMBL1187265 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53
SCHEMBL1187705 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53
SCHEMBL1186653 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53
SCHEMBL1186919 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53
SCHEMBL1186880 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53
SCHEMBL1187794 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53
SCHEMBL1186926 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53
SCHEMBL1188740 0.91 ALOX5 (0.43) HTTTYRMAPTMEN1TP53

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 HTT 295/4885NPC1 2029/4885HPGD 4301/4885

“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.