SCHEMBL1187263

SCHEMBL1187263

CCCCCc1nc(C)nc(CCCCC)c1CCCCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
KCNH2 Q12809 1/20 0.39
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 2/20 0.37
GCGR P47871 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DHFR P00374 1/20 0.34
TYR P14679 1/20 0.33
TYMP P19971 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
SCHEMBL1187685 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1187671 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1187125 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1187257 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1187550 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1187104 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1189782 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1187583 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1187133 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM
SCHEMBL1187105 0.98 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1PKM

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 MEN1 1342/4885KMT2A 3067/4885HPGD 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.