SCHEMBL21474584

SCHEMBL21474584

CC1(C)CCCCCC(C(=O)Cl)CCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
GRM5 P41594 1/20 0.33
APLNR P35414 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL19933348 0.96 HSD11B1 (0.39) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL21474585 0.86 HSD11B1 (0.42) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL19121536 0.85 HSD11B1 (0.35) HSD11B1CES2CES1TSHRHPGD
SCHEMBL2154593 0.82 CES2 (0.38) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL6628367 0.81 APLNR (0.37) TSHRGRM5APLNR
Ethane SCHEMBL27878529 0.80 CES2 (0.52) HSD11B1CES2CES1HDAC8HDAC6
Ethane SCHEMBL2153406 0.80 CES2 (0.52) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL1420 0.80
SCHEMBL1477908 0.80 CES2 (0.58) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL16317826 0.80 CES2 (0.58) HSD11B1CES2CES1HDAC8HDAC6

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-10975094-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-04-13 US disclosed
US-20190315766-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-10-17 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 (2 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-10975094-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 HSD11B1 332/4885CES2 3480/4885CES1 1021/4885
US-20190315766-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 HSD11B1 332/4885CES2 3480/4885CES1 1021/4885

“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.