SCHEMBL7195697

SCHEMBL7195697

COc1cc(OC(C)(C)C)cc(CCC(=O)c2cccc(OC(C)(C)C)c2OC(C)(C)C)c1OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 2/20 0.44
CYP1A2 P05177 1/20 0.36
ALOX5 P09917 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTNNB1 P35222 3/20 0.35
WNT3A P56704 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL7188224 0.92 NPC1 (0.50) NPC1RAB9APKMCTNNB1WNT3A
SCHEMBL7193913 0.89 NPC1 (0.42) NPC1RAB9APKMCYP1A2ALOX5
SCHEMBL7187272 0.85 RAB9A (0.39) NPC1RAB9APKMMEN1KMT2A
SCHEMBL7189344 0.84 HSD17B10 (0.39) NPC1RAB9APKMCYP1A2ALOX5
SCHEMBL7198320 0.83 CTNNB1 (0.44) NPC1RAB9APKMCTNNB1WNT3A
SCHEMBL7198485 0.81 CYP1A2 (0.39) NPC1RAB9APKMCYP1A2ALOX5
SCHEMBL7190602 0.80 CYP1A2 (0.51) NPC1RAB9APKMCYP1A2TP53
SCHEMBL7188136 0.77 NPC1 (0.39) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL7191887 0.76 NPC1 (0.57) NPC1RAB9APKMCYP1A2CTNNB1
SCHEMBL7196642 0.74 NPC1 (0.45) NPC1RAB9APKMALOX5TP53

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 NPC1 3105/4885RAB9A 3774/4885PKM 749/4885

“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.