SCHEMBL21790498

SCHEMBL21790498

Cc1cc(-c2ccc(OC(=O)Oc3ccc(-c4ccc(O)c(C)c4)cc3C)c(C)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.47
HSD17B2 P37059 8/20 0.47
ESR2 Q92731 2/20 0.46
MCL1 Q07820 2/20 0.45
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FGFR1 P11362 1/20 0.41
ESR1 P03372 3/20 0.39
HSD17B14 Q9BPX1 1/20 0.39
CFD P00746 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL21790499 0.89 HSD17B1 (0.43) HSD17B1HSD17B2ESR2MCL1TDP1
SCHEMBL21790500 0.89 HSD17B1 (0.43) HSD17B1HSD17B2ESR2MCL1TDP1
SCHEMBL12332901 0.88 CFD (0.53) HSD17B1HSD17B2ESR2MCL1TP53
SCHEMBL22641752 0.83 HSD17B1 (0.42) HSD17B1HSD17B2ESR2MCL1ESR1
SCHEMBL22012376 0.81 ESR1 (0.65) ESR2ESR1
SCHEMBL14615844 0.81 HSD17B1 (0.50) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL2809016 0.81 HSD17B1 (0.53) HSD17B1HSD17B2ESR2MCL1TP53
SCHEMBL14599496 0.79 HSD17B1 (0.52) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL21790495 0.79 PPARG (0.46) TDP1CFDPPARGPPARA
SCHEMBL21790496 0.79 PPARG (0.46) TDP1CFDPPARGPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130840-B2 Aromatic polycarbonate oligomer solid HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-28 US disclosed
US-20200071460-A1 AROMATIC POLYCARBONATE OLIGOMER SOLID HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2020-03-05 US disclosed