SCHEMBL30729044

SCHEMBL30729044

Oc1cc(-n2ncc3nc(-c4ccc(O)c(Cl)c4)ccc32)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
HSD17B14 Q9BPX1 3/20 0.39
NR3C1 P04150 7/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
PGR P06401 1/20 0.36
PRKCZ Q05513 1/20 0.35
KMO O15229 1/20 0.33
GRIN2B Q13224 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL27075089 1.00 HSD17B1 (0.39) HSD17B1HSD17B2HSD17B14NR3C1ESR1
SCHEMBL25340267 0.84 NR3C1 (0.55) HSD17B1HSD17B2NR3C1ESR1ESR2
SCHEMBL27074772 0.83 HSD17B1 (0.43) HSD17B1HSD17B2HSD17B14NR3C1ESR1
SCHEMBL27074705 0.82 HSD17B1 (0.42) HSD17B1HSD17B2HSD17B14NR3C1PGR
SCHEMBL27074701 0.75 HSD17B1 (0.48) HSD17B1HSD17B2HSD17B14NR3C1ESR1
SCHEMBL30572930 0.75 NR3C1 (0.36) NR3C1PGR
SCHEMBL25340505 0.75 NR3C1 (0.36) NR3C1PGR
SCHEMBL27074850 0.74 NR3C1 (0.55) NR3C1PGR
SCHEMBL25341867 0.74 MAPK8 (0.46) NR3C1PGR
SCHEMBL30728999 0.74 NR3C1 (0.61) NR3C1PGR

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-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-02-01 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-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 HSD17B1 3/4885HSD17B2 5/4885HSD17B14 11/4885

“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.