SCHEMBL14340702

SCHEMBL14340702

COc1c(C(C)C)cc(C2(C)CC2)cc1-n1cccn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HCRTR1 O43613 3/20 0.31
▸ HCRTR2 O43614 3/20 0.31
▸ TDO2 P48775 1/20 0.31

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
SCHEMBL14340663 0.83 NOTUM (0.35) —
SCHEMBL13688756 0.81 KDM4E (0.34) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL14364554 0.78 CYP11B1 (0.38) ALDH1A1LMNA
SCHEMBL14364553 0.77 — —
SCHEMBL13452169 0.76 KDM4E (0.36) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL20150084 0.73 NPC1 (0.44) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL13690270 0.71 POLB (0.33) GAA
SCHEMBL14340660 0.71 ALOX5 (0.38) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL13690271 0.67 P2RX3 (0.31) —
SCHEMBL18883079 0.64 NOTUM (0.53) KDM4EMEN1ALDH1A1MAPTKMT2A

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
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 — — EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — 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-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A KDM4E 4514/4885MEN1 4481/4885ALDH1A1 297/4885

“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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