SCHEMBL7188085

SCHEMBL7188085

COc1ccc(OC)c(CCC(=O)c2ccccc2OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
HSD17B10 Q99714 1/20 0.54
ADRA1A P35348 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
CTNNB1 P35222 2/20 0.50
WNT3A P56704 2/20 0.50
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC1 Q13547 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
SCHEMBL7196334 0.90 HSD17B10 (0.58) PKMRAB9ANPC1HSD17B10ADRA1A
SCHEMBL7190629 0.88 RAB9A (0.53) PKMRAB9ANPC1HSD17B10ADRA1A
SCHEMBL2336465 0.86 NPC1 (0.59) PKMRAB9ANPC1TAAR1MTNR1A
SCHEMBL7193844 0.85 NPC1 (0.51) PKMRAB9ANPC1CTNNB1WNT3A
SCHEMBL7190492 0.84 HSD17B10 (0.59) PKMRAB9ANPC1HSD17B10ADRA1A
SCHEMBL7191887 0.83 NPC1 (0.57) PKMRAB9ANPC1CTNNB1WNT3A
SCHEMBL7332981 0.82 HSD17B10 (0.63) PKMRAB9ANPC1HSD17B10ADRA1A
SCHEMBL14364671 0.81 PKM (0.58) PKMRAB9ANPC1HSD17B10KDM4E
SCHEMBL16324582 0.81 TTR (0.60) PKMRAB9ANPC1HSD17B10KDM4E
SCHEMBL7194990 0.81 NPC1 (0.54) PKMRAB9ANPC1HSD17B10ADRA1A

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 PKM 749/4885RAB9A 3774/4885NPC1 3105/4885

“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.