SCHEMBL21992544

SCHEMBL21992544

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL21991502 0.95 MEN1 (0.42) KMT2AMEN1PPARGPPARACYP1A2
SCHEMBL21991517 0.93 KMT2A (0.56) KMT2AMEN1PPARGPPARACYP1A2
SCHEMBL21991855 0.88 MAOB (0.53) LMNAMAPT
SCHEMBL21992559 0.85 HPGD (0.50) KMT2APPARGPPARACYP1A2CYP2C9
SCHEMBL21991494 0.85 GAA (0.44) KMT2AMEN1PPARGPPARACYP1A2
SCHEMBL23605981 0.85 KMT2A (0.43) KMT2AMEN1PPARGPPARACYP1A2
SCHEMBL21992597 0.83 LDHA (0.47) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL21991808 0.83 ALDH1A1 (0.47) KMT2APPARGPPARANPSR1LMNA
SCHEMBL21991450 0.83 CYP1A2 (0.53) KMT2AMEN1PPARGPPARACYP1A2
SCHEMBL21103699 0.83 CYP1A2 (0.53) KMT2AMEN1PPARGPPARACYP1A2

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 3749/4885PPARG 1583/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MEN1 3749/4885PPARG 1583/4885

“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.