SCHEMBL13058841

SCHEMBL13058841

CCCCCCCCCCCCc1cc(-c2ccc3c(c2)N(CC(CC)CCCC)C(=O)/C3=C2/C(=O)N(CC(CC)CCCC)c3cc(-c4cc(CCCCCCCCCCCC)c(C)s4)ccc32)sc1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 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
SCHEMBL15827138 0.90 KDM4E (0.36) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13058842 0.88 KDM4E (0.36) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL19214020 0.86 KDM4E (0.33) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL15827137 0.85 KDM4E (0.35) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13058843 0.85 KDM4E (0.34) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL16668594 0.84 NR1H2 (0.33) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13058822 0.84 NR1H2 (0.33) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL16668598 0.84 NR1H2 (0.33) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13058819 0.82 KDM4E (0.36) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13058844 0.82 NR1H2 (0.30) 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 KDM4E 96/4885ALDH1A1 787/4885THRB 4536/4885

“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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