SCHEMBL18797641

SCHEMBL18797641

Cc1cc(C)n(CC(O)COc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
KDM4E B2RXH2 4/20 0.85
LMNA P02545 3/20 0.85
HPGD P15428 3/20 0.85
RAB9A P51151 1/20 0.77
KMT2A Q03164 4/20 0.73
TSHR P16473 3/20 0.70
ALDH1A1 P00352 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.53
S1PR2 O95136 1/20 0.53

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
SCHEMBL18821435 0.86 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18821167 0.86 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18821160 0.86 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18821302 0.85 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18821169 0.84 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18821182 0.84 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18821436 0.83 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18821158 0.83 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL3762247 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL3762594 0.78 KMT2A (0.64) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127633-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF BIO VENTURES, LLC 2023-04-27 US disclosed
US-20230127633-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF BIO VENTURES, LLC 2023-04-27 US disclosed
US-20230127633-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF BIO VENTURES, LLC 2023-04-27 US disclosed
US-11465972-B2 Inhibitors of oxidized low-density lipoprotein receptor 1 and methods of use thereof THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2022-10-11 US disclosed
US-20200123112-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF BIO VENTURES, LLC 2020-04-23 US disclosed
US-20200123112-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF BIO VENTURES, LLC 2020-04-23 US disclosed
US-20180305318-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF BIO VENTURES, LLC 2018-10-25 US disclosed
WO-2017075418-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2017-05-04 WO disclosed
WO-2017075418-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2017-05-04 WO 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 (4 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-20200123112-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF LDLR, LOX, LOXL1 CYP1A2 905/4885CYP3A4 1452/4885CYP2C9 1627/4885
US-20230127633-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF LDLR, LOX, LOXL1 CYP1A2 905/4885CYP3A4 1452/4885CYP2C9 1627/4885
US-11465972-B2 Inhibitors of oxidized low-density lipoprotein receptor 1 and methods of use thereof LDLR, LOX, LOXL1 CYP1A2 905/4885CYP3A4 1452/4885CYP2C9 1627/4885
US-20180305318-A1 INHIBITORS OF OXIDIZED LOW-DENSITY LIPOPROTEIN RECEPTOR 1 AND METHODS OF USE THEREOF LDLR, LOX, LOXL1 CYP1A2 905/4885CYP3A4 1452/4885CYP2C9 1627/4885

“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.