SCHEMBL7084047

SCHEMBL7084047

Cc1cc(-c2cc(O)cc(O)c2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.68
HSD17B2 P37059 7/20 0.68
ESR2 Q92731 2/20 0.55
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
ABL1 P00519 3/20 0.52
ABCB1 P08183 3/20 0.52
BCR P11274 3/20 0.52
TP53 P04637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.48
FGFR1 P11362 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL675046 0.88 HSD17B1 (0.63) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL31574448 0.88 HSD17B1 (0.63) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL29696046 0.88 HSD17B1 (0.68) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL29429121 0.88 HSD17B1 (0.68) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL26979937 0.88 HSD17B1 (0.68) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL272034 0.88 HSD17B1 (0.68) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL20056522 0.86 HSD17B1 (0.63) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
Hydrogen Sulfide SCHEMBL6269773 0.85 HSD17B1 (0.65) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
Hydrogen Sulfide SCHEMBL22042810 0.85 HSD17B1 (0.65) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL3811825 0.85 HSD17B1 (0.72) HSD17B1HSD17B2ESR2CYP3A4CYP2D6

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-20030139479-A1 Non-halogenated biphenyl triol compounds, antimicrobial compositions containing the same, and methods of using the same WARNER-LAMBERT COMPANY 2003-07-24 US disclosed

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-20030139479-A1 Non-halogenated biphenyl triol compounds, antimicrobial compositions containing the same, and methods of using the same AS3MT, PTPN1, NONO HSD17B1 1934/4885HSD17B2 2032/4885ESR2 1268/4885

“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.