SCHEMBL13058822

SCHEMBL13058822

CCCCCCCCCCCCc1cc(-c2ccc3c(c2)N(CC(CCCCCC)CCCCCCCC)C(=O)/C3=C2/C(=O)N(CC(CCCCCC)CCCCCCCC)c3cc(-c4cc(CCCCCCCCCCCC)c(Br)s4)ccc32)sc1Br

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ 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
SCHEMBL16668594 1.00 NR1H2 (0.33) NR1H2NR1H3KDM4EALDH1A1THRB
SCHEMBL16668598 1.00 NR1H2 (0.33) NR1H2NR1H3KDM4EALDH1A1THRB
SCHEMBL16674418 0.96 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL16668725 0.96 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL15827138 0.94 KDM4E (0.36) NR1H2NR1H3KDM4EALDH1A1THRB
SCHEMBL19214022 0.89 NR1H2 (0.31) NR1H2NR1H3
SCHEMBL13058845 0.88 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL19460693 0.85 CDC25A (0.35) ALDH1A1HPGDKMT2A
SCHEMBL19765270 0.85 CDC25A (0.35) ALDH1A1HPGDKMT2A
SCHEMBL13058844 0.85 NR1H2 (0.30) NR1H2NR1H3KDM4EALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205657-B1 KETOPYRROLES AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2017-04-05 — — EP disclosed
US-8758880-B2 Ketopyrroles as organic semiconductors BASF SE (DE) 2014-06-24 — — US disclosed
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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