SCHEMBL7196334

SCHEMBL7196334

COc1ccc(OC)c(CCC(=O)c2cc(OC)ccc2OC)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57
ADRA1A P35348 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD11B1 P28845 1/20 0.53
AOC3 Q16853 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL7188085 0.90 PKM (0.64) HSD17B10NPC1PKMRAB9AADRA1A
SCHEMBL7195064 0.89 MEN1 (0.52) HSD17B10NPC1PKMRAB9AADRA1A
SCHEMBL7194990 0.87 NPC1 (0.54) HSD17B10NPC1PKMRAB9AADRA1A
SCHEMBL7332981 0.85 HSD17B10 (0.63) HSD17B10NPC1PKMRAB9AADRA1A
SCHEMBL13753192 0.84 KMT2A (0.58) HSD17B10NPC1PKMRAB9AMEN1
SCHEMBL11077966 0.84 MTNR1A (0.62) HSD17B10NPC1RAB9AADRA1ATAAR1
SCHEMBL491188 0.84 HSD17B10 (0.71) HSD17B10ADRA1ATAAR1MEN1KMT2A
SCHEMBL30436820 0.84 HSD17B10 (0.71) HSD17B10ADRA1ATAAR1MEN1KMT2A
SCHEMBL1038498 0.84 HSD11B1 (0.59) HSD17B10NPC1PKMRAB9AADRA1A
SCHEMBL7190629 0.83 RAB9A (0.53) HSD17B10NPC1PKMRAB9AADRA1A

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 3 patents. 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
EP-0996432-A2 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 SERUMINSTITUT (DK) 2000-05-03 EP claimed
WO-1999000114-A2 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 INSTITUT (DK) 1999-01-07 WO 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.