SCHEMBL21992644

SCHEMBL21992644

COC(=O)CC(C)Oc1ccc(F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
BACE1 P56817 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL21991306 0.89 BACE1 (0.37) MTNR1AMTNR1BBACE1TP53MEN1
SCHEMBL21991890 0.88 BACE1 (0.39) BACE1MEN1KMT2A
SCHEMBL21992654 0.87 HSD17B10 (0.41) MTNR1AMTNR1BBACE1
SCHEMBL21991931 0.86 BACE1 (0.40) BACE1TP53MEN1GAAMAPT
SCHEMBL21991891 0.85 BACE1 (0.36) MTNR1AMTNR1BBACE1TP53MEN1
SCHEMBL21992653 0.83 TAS2R14 (0.37) BACE1MEN1GAAMAPTKMT2A
SCHEMBL21991899 0.80 ALDH1A1 (0.51) MTNR1AMTNR1BMEN1GAAMAPT
SCHEMBL21992635 0.80 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL23606004 0.78 POLB (0.46) MEN1GAAMAPTKMT2A
SCHEMBL21991519 0.77 GAA (0.50) MTNR1AMTNR1BMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885BACE1 1133/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885BACE1 1133/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885BACE1 1133/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885BACE1 1133/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885BACE1 1133/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885BACE1 1133/4885

“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.