SCHEMBL13058844

SCHEMBL13058844

CCCCCCCCCCCCc1cc(-c2ccc3c(c2)N(CC(CCCCCC)CCCCCCCC)C(=O)/C3=C2/C(=O)N(CC(CCCCCC)CCCCCCCC)c3cc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(C)s5)s4)ccc32)sc1-c1ccc(C)s1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL13058842 0.95 KDM4E (0.36) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL16674526 0.91 — —
SCHEMBL13058845 0.91 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL16674420 0.90 — —
SCHEMBL16674418 0.88 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL16668725 0.88 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL13058824 0.87 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL16674419 0.86 — —
SCHEMBL16674517 0.86 — —
SCHEMBL13058843 0.86 KDM4E (0.34) KDM4EALDH1A1THRBHPGDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758880-B2 Ketopyrroles as organic semiconductors BASF SE (DE) 2014-06-24 — — US disclosed
US-20100297405-A1 KETOPYRROLES AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2010-11-25 — — 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 (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-20100297405-A1 KETOPYRROLES AS ORGANIC SEMICONDUCTORS FOXK1, PDK1, PKN1 NR1H2 1981/4885NR1H3 1960/4885KDM4E 96/4885

“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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