SCHEMBL21991768

SCHEMBL21991768

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
PPARG P37231 2/20 0.58
PPARA Q07869 2/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
USP2 O75604 1/20 0.58
ABCB11 O95342 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADRB3 P13945 1/20 0.58
TSHR P16473 1/20 0.58
CNR1 P21554 1/20 0.58
ACHE P22303 1/20 0.58
SLC6A2 P23975 1/20 0.58

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
SCHEMBL21103699 0.92 CYP1A2 (0.53) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21991450 0.92 CYP1A2 (0.53) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21991248 0.88 CYP1A2 (0.49) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21991482 0.86 HPGD (0.60) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21991517 0.85 KMT2A (0.56) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL27912406 0.84 HPGD (0.65) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21992473 0.84 NPC1 (0.54) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL10703205 0.84 EPHX2 (0.59) KMT2AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11462507 0.84 EPHX2 (0.50) KMT2ACYP1A2CYP2C9CYP2C19PPARG
SCHEMBL8638497 0.83 HPGD (0.59) KMT2AHPGDCYP1A2CYP2C9CYP2C19

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 7 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
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 KMT2A 4842/4885HPGD 765/4885CYP1A2 2919/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KMT2A 4842/4885HPGD 765/4885CYP1A2 2919/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885HPGD 765/4885CYP1A2 2919/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885HPGD 765/4885CYP1A2 2919/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885HPGD 765/4885CYP1A2 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 KMT2A 2060/4885HPGD 1564/4885CYP1A2 3362/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885HPGD 765/4885CYP1A2 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.