SCHEMBL7197963

SCHEMBL7197963

COc1ccc(OC)c(CCC(=O)c2c(OC)c(OC)cc(OC)c2OC)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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
AOC3 Q16853 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
BRD4 O60885 1/20 0.46
IDO1 P14902 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL7193532 0.91 HSD17B10 (0.54) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7195685 0.85 CYP1A2 (0.58) NPC1PKMRAB9A
SCHEMBL7198570 0.85 CYP19A1 (0.46)
SCHEMBL7194990 0.83 NPC1 (0.54) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7196637 0.82 CYP1A2 (0.54) HSD17B10MTNR1AMTNR1BNPC1PKM
SCHEMBL7332981 0.82 HSD17B10 (0.63) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7196334 0.81 HSD17B10 (0.58) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL11077966 0.80 MTNR1A (0.62) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL30436820 0.80 HSD17B10 (0.71) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL491188 0.80 HSD17B10 (0.71) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B

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 328/4885ADRA1A 957/4885TAAR1 982/4885

“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.