SCHEMBL17461867

SCHEMBL17461867

C=C(C)c1ccc2c(c1)c1cc(OC(C)=O)ccc1n2CCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.45
▸ CNR2 P34972 5/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RORC P51449 2/20 0.40
▸ ELANE P08246 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL16098944 0.90 HPGD (0.53) HPGDLMNAHTTKDM4EMAPT
SCHEMBL17461866 0.82 NPC1 (0.64) HPGDLMNAHTTKDM4EMAPT
SCHEMBL16099756 0.78 HPGD (0.55) HPGDLMNAHTTKDM4EMAPT
SCHEMBL17461841 0.78 HPGD (0.57) HPGDLMNAHTTKDM4EMAPT
SCHEMBL17461833 0.78 NPC1 (0.59) HPGDLMNAHTTKDM4EMAPT
SCHEMBL17461844 0.78 NPSR1 (0.56) HPGDLMNAHTTKDM4EMAPT
SCHEMBL15848966 0.76 HPGD (0.67) HPGDLMNAHTTKDM4EMAPT
SCHEMBL17461839 0.74 HPGD (0.53) HPGDLMNAHTTKDM4EMAPT
SCHEMBL17461825 0.74 HPGD (0.53) HPGDLMNAHTTKDM4EMAPT
SCHEMBL16120149 0.72 CNR2 (0.61) HPGDLMNAHTTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 — — 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT HPGD 166/4885LMNA 4043/4885HTT 3094/4885

“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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