SCHEMBL21991344

SCHEMBL21991344

CC(C)OC(=O)CC(C)C(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 2/20 0.52
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52
ADRB3 P13945 1/20 0.52
TSHR P16473 1/20 0.52
CNR1 P21554 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL21991987 0.93 KMT2A (0.45) KMT2AMEN1HPGDPPARGPPARA
SCHEMBL21991598 0.89 KMT2A (0.42) KMT2AMEN1HPGDPPARGPPARA
SCHEMBL21991352 0.88 HPGD (0.53) KMT2AMEN1HPGDPPARGPPARA
SCHEMBL21991353 0.87 NPC1 (0.49) KMT2AMEN1HPGDPPARGPPARA
SCHEMBL21991911 0.86 KMT2A (0.54) KMT2AMEN1HPGDPPARGPPARA
SCHEMBL21992003 0.86 HPGD (0.47) KMT2AMEN1HPGDPPARGPPARA
SCHEMBL21992719 0.85 HPGD (0.51) KMT2AMEN1HPGDPPARGPPARA
SCHEMBL21991608 0.84 MAOB (0.51) KMT2AMEN1MAPTPOLB
SCHEMBL21991928 0.80 NPC1 (0.46) KMT2AHPGDPPARGPPARASMN1; SMN2
SCHEMBL21991934 0.80 GAA (0.48) KMT2AMEN1HPGDPPARGPPARA

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 KMT2A 4842/4885MEN1 3749/4885HPGD 765/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885HPGD 765/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885HPGD 765/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885HPGD 765/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885HPGD 765/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885HPGD 765/4885

“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.