SCHEMBL13174366

SCHEMBL13174366

COc1ccc2cc3[n+](cc2c1OC)CCc1cc(CO)c(CO)cc1-3

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.76
ACHE P22303 6/20 0.76
EP300 Q09472 6/20 0.76
MAPT P10636 5/20 0.76
RAD52 P43351 5/20 0.76
KDM1A O60341 4/20 0.76
LMNA P02545 4/20 0.76
KDM4E B2RXH2 3/20 0.76
CYP2D6 P10635 3/20 0.76
MAPK1 P28482 2/20 0.76
HIF1A Q16665 2/20 0.76
RAC1 P63000 2/20 0.74
CYP1B1 Q16678 2/20 0.74
SMN1; SMN2 Q16637 3/20 0.73
MAOB P27338 1/20 0.73
POLB P06746 1/20 0.73
GAA P10253 1/20 0.73
TRPC5 Q9UL62 1/20 0.73
ALDH1A1 P00352 2/20 0.70
BCHE P06276 2/20 0.70

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
SCHEMBL29331825 0.89 ACHE (0.59) CYP3A4ACHEEP300MAPTRAD52
SCHEMBL25892349 0.87 CYP3A4 (0.79) CYP3A4ACHEEP300MAPTRAD52
SCHEMBL14477482 0.87 CYP3A4 (0.76) CYP3A4ACHEEP300MAPTRAD52
Palmitine SCHEMBL29350054 0.86 CYP3A4 (1.00) CYP3A4ACHEEP300MAPTRAD52
Palmitine SCHEMBL29471136 0.86 CYP3A4 (1.00) CYP3A4ACHEEP300MAPTRAD52
Palmitine SCHEMBL562120 0.86 CYP3A4 (1.00) CYP3A4ACHEEP300MAPTRAD52
SCHEMBL2742479 0.85 RAC1 (1.00) CYP3A4ACHEEP300MAPTRAD52
Palmitine SCHEMBL754702 0.85 CYP3A4 (1.00) CYP3A4ACHEEP300MAPTRAD52
Palmitine SCHEMBL2445279 0.85 CYP3A4 (0.98) CYP3A4ACHEEP300MAPTRAD52
Palmitine SCHEMBL29376263 0.85 CYP3A4 (1.00) CYP3A4ACHEEP300MAPTRAD52

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-20230348457-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL LTD (CN) 2023-11-02 US disclosed
US-20230295151-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2023-09-21 US disclosed
US-11685735-B2 Pharmaceutical composition comprising berberine salts for the treatment of various diseases or disorders SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2023-06-27 US disclosed
US-20180050048-A1 CONJUGATE COMPOUNDS OF URSODEOXYCHOLIC, BERBERINE OR L-CARNITINE, AND COMPOSITIONS AND METHODS THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2018-02-22 US disclosed
US-20170037043-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2017-02-09 US disclosed
US-9233903-B2 Pharmaceutical substances on the basis of mitochondria-addressed antioxidants MITOTECH SA (LU) 2016-01-12 US disclosed
US-20120259110-A1 PHARMACEUTICAL SUBSTANCES ON THE BASIS OF MITOCHONDRIA-ADDRESSED ANTIOXIDANTS MITOTECH SA (LU) 2012-10-11 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-20170037043-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF CYP27A1, NR1H4, CYP7A1 CYP3A4 213/4885ACHE 348/4885EP300 4008/4885
US-20230348457-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF CYP27A1, NR1H4, CYP7A1 CYP3A4 213/4885ACHE 348/4885EP300 4008/4885
US-20120259110-A1 PHARMACEUTICAL SUBSTANCES ON THE BASIS OF MITOCHONDRIA-ADDRESSED ANTIOXIDANTS SQOR, MT-ND2, PRDX5 CYP3A4 528/4885ACHE 911/4885EP300 4412/4885
US-20180050048-A1 CONJUGATE COMPOUNDS OF URSODEOXYCHOLIC, BERBERINE OR L-CARNITINE, AND COMPOSITIONS AND METHODS THEREOF HMGCR, COASY, CPT1A CYP3A4 2342/4885ACHE 2164/4885EP300 938/4885
US-11685735-B2 Pharmaceutical composition comprising berberine salts for the treatment of various diseases or disorders CPT1B, CYP27A1, GLS2 CYP3A4 212/4885ACHE 418/4885EP300 3995/4885
US-20230295151-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF CYP27A1, NR1H4, CYP7A1 CYP3A4 213/4885ACHE 348/4885EP300 4008/4885

“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.