SCHEMBL19933348

SCHEMBL19933348

CC1(C)CCCCC(C(=O)Cl)CCCC(C)(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
APLNR P35414 1/20 0.31
GAA P10253 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL21474584 0.96 HSD11B1 (0.43) HSD11B1CES2CES1APLNRHDAC8
SCHEMBL19121536 0.85 HSD11B1 (0.35) HSD11B1CES2CES1GAAHPGD
SCHEMBL21474585 0.82 HSD11B1 (0.42) HSD11B1CES2CES1APLNRHDAC8
SCHEMBL6628367 0.81 APLNR (0.37) APLNR
SCHEMBL2154593 0.78 CES2 (0.38) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL101983 0.78
SCHEMBL13397790 0.78
SCHEMBL21883492 0.77 APLNR (0.38) HSD11B1APLNR
Ethane SCHEMBL2153406 0.75 CES2 (0.52) HSD11B1CES2CES1GAAHDAC8
Ethane SCHEMBL27878529 0.75 CES2 (0.52) HSD11B1CES2CES1GAAHDAC8

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-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2018-03-08 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-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP HSD11B1 4231/4885CES2 2175/4885CES1 3179/4885

“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.