SCHEMBL7189344

SCHEMBL7189344

COc1cc(OC(C)(C)C)cc(CCC(=O)c2c(OC(C)(C)C)ccc(OC(C)(C)C)c2OC(C)(C)C)c1OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALOX5 P09917 2/20 0.37
CYP19A1 P11511 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ADRA1A P35348 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
BRD4 O60885 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
SCHEMBL7198485 0.91 CYP1A2 (0.39) HSD17B10NPC1PKMRAB9ACYP1A2
SCHEMBL7194915 0.85 MTNR1A (0.37) HSD17B10NPC1PKMRAB9AMTNR1A
SCHEMBL7195697 0.84 NPC1 (0.44) NPC1PKMRAB9ACYP1A2ALOX5
SCHEMBL7193913 0.83 NPC1 (0.42) HSD17B10NPC1PKMRAB9ACYP1A2
SCHEMBL7188224 0.83 NPC1 (0.50) NPC1PKMRAB9A
SCHEMBL7198320 0.81 CTNNB1 (0.44) NPC1PKMRAB9A
SCHEMBL7193634 0.78 NFKB1 (0.35) HSD17B10NPC1PKMRAB9ACYP19A1
SCHEMBL7196637 0.76 CYP1A2 (0.54) HSD17B10NPC1PKMRAB9ACYP1A2
SCHEMBL7188136 0.74 NPC1 (0.39) HSD17B10NPC1PKMRAB9AMTNR1A
SCHEMBL7197963 0.72 HSD17B10 (0.54) HSD17B10NPC1PKMRAB9AMTNR1A

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 HSD17B10 328/4885NPC1 3105/4885PKM 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.