SCHEMBL1187623

SCHEMBL1187623

[CH2]Cc1nc(CCCCCCCCC)c(CCCCCCCCC)c(CCCCCCCCC)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DHFR P00374 1/20 0.33
▸ GCGR P47871 5/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ TYMP P19971 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
SCHEMBL1189095 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1187097 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1189524 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1187614 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1187197 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1187358 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1187088 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1188246 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1186782 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1
SCHEMBL1189282 1.00 KCNH2 (0.37) KCNH2MEN1KMT2AHPGDALDH1A1

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 3391/4885MEN1 1342/4885KMT2A 3067/4885

“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.

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