SCHEMBL21992496

SCHEMBL21992496

CC(C)OC(=O)C(C)(C)Oc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.79
PPARA Q07869 6/20 0.79
CYP1A2 P05177 4/20 0.79
CYP3A4 P08684 4/20 0.79
MEN1 O00255 3/20 0.79
KMT2A Q03164 3/20 0.79
CYP2C19 P33261 3/20 0.79
ABCB11 O95342 2/20 0.79
TSHR P16473 2/20 0.79
HTR2A P28223 2/20 0.79
PMP22 Q01453 2/20 0.79
MAPT P10636 2/20 0.79
PPARG P37231 2/20 0.79
CYP2C9 P11712 2/20 0.79
USP2 O75604 1/20 0.79
LMNA P02545 1/20 0.79
ADORA3 P0DMS8 1/20 0.79
ADRB3 P13945 1/20 0.79
HPGD P15428 1/20 0.79
ACHE P22303 1/20 0.79

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
SCHEMBL21992457 0.95 CNR1 (0.86) CNR1PPARACYP1A2CYP3A4MEN1
Fenofibrate SCHEMBL3876232 0.88 PPARA (1.00) CNR1PPARACYP1A2CYP3A4MEN1
Fenofibrate SCHEMBL4670 0.88 PPARA (1.00) CNR1PPARACYP1A2CYP3A4MEN1
SCHEMBL11434553 0.87 CNR1 (0.73) CNR1PPARACYP1A2CYP3A4MEN1
SCHEMBL31742332 0.87 CNR1 (0.73) CNR1PPARACYP1A2CYP3A4MEN1
Fenofibrate SCHEMBL22209064 0.87 PPARA (0.97) CNR1PPARACYP1A2CYP3A4MEN1
Fenofibrate SCHEMBL21758490 0.87 PPARA (0.97) CNR1PPARACYP1A2CYP3A4MEN1
Fenofibrate SCHEMBL29262792 0.87 PPARA (0.97) CNR1PPARACYP1A2CYP3A4MEN1
Fenofibrate SCHEMBL29262793 0.87 PPARA (0.97) CNR1PPARACYP1A2CYP3A4MEN1
Fenofibrate SCHEMBL27847067 0.87 PPARA (0.97) CNR1PPARACYP1A2CYP3A4MEN1

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 8 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-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE UNIV LOUISIANA STATE (US) 2022-09-29 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
WO-2020146876-A2 ANTI-CANCER COMPOSITIONS AND METHODS OF USE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-07-16 WO 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 (7 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 CNR1 1076/4885PPARA 806/4885CYP1A2 2919/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 CNR1 1076/4885PPARA 806/4885CYP1A2 2919/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CNR1 1076/4885PPARA 806/4885CYP1A2 2919/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CNR1 1076/4885PPARA 806/4885CYP1A2 2919/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CNR1 1076/4885PPARA 806/4885CYP1A2 2919/4885
US-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MCL1 CNR1 3125/4885PPARA 1460/4885CYP1A2 3362/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CNR1 1076/4885PPARA 806/4885CYP1A2 2919/4885

“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.