SCHEMBL21991908

SCHEMBL21991908

COC(=O)C(=O)COC(=O)CC(C)Oc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KLK7 P49862 2/20 0.40
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23606053 0.90 KMT2A (0.41) MTNR1AMTNR1BMEN1LMNAKMT2A
SCHEMBL21991880 0.89 ALDH1A1 (0.39) MTNR1AMTNR1BHTTMEN1LMNA
SCHEMBL21991550 0.89 MTNR1A (0.45) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL21991868 0.89 GAA (0.42) MTNR1AMTNR1BKLK7KMT2A
SCHEMBL21991885 0.89 ALDH1A1 (0.43) MTNR1AMTNR1BKLK7HTTMEN1
SCHEMBL21991869 0.87 MTNR1A (0.48) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL21991879 0.87 MTNR1A (0.43) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL21992677 0.86 GAA (0.40) MTNR1AMTNR1BKLK7
SCHEMBL21991905 0.86 ALDH1A1 (0.39) MTNR1AMTNR1BALDH1A1
SCHEMBL21992635 0.82 MTNR1A (0.61) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2

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 2158/4885TAS1R3 1961/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MTNR1A 3190/4885MTNR1B 2158/4885TAS1R3 1961/4885

“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.