SCHEMBL2219213

SCHEMBL2219213

COc1ccc(COCc2cnc(C)c3c2COC(C)(C)O3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 2/20 0.57
MAOB P27338 4/20 0.45
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
APP P05067 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL1503186 0.87 MAPK1 (0.41) ALDH1A1KMT2AMAPK1MAOBAPP
SCHEMBL1503282 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AMAPK1MAOBAPP
SCHEMBL1503087 0.84 EGLN1 (0.40) ALDH1A1KMT2AMAPK1KDM4EHPGD
SCHEMBL30193010 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMAPK1MAOBKDM4E
SCHEMBL1503248 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMAPK1MAOBKDM4E
SCHEMBL2220510 0.83 UCHL1 (0.40) ALDH1A1KMT2AMAPK1MAOBHPGD
SCHEMBL1503084 0.82 SMPD1 (0.39) ALDH1A1KMT2AMAPK1MAOBHPGD
SCHEMBL22283910 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AMAPK1MAOBHCRTR1
SCHEMBL24065239 0.78 CA1 (0.35) ALDH1A1KMT2AMAPK1MAOBAPP
SCHEMBL2220041 0.78 ALDH1A1 (0.34) ALDH1A1KMT2AMAPK1APPGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
EP-3687538-B1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INST (CA) 2024-04-17 EP disclosed
US-11931348-B2 Methods of treating elevated plasma cholesterol Montréal Heart Institute (CA) 2024-03-19 US disclosed
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montréal Heart Institute (CA) 2023-03-23 US disclosed
US-11400082-B2 Methods of treating elevated plasma cholesterol Montréal Heart Institute (CA) 2022-08-02 US disclosed
US-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2021-12-02 US disclosed
US-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2021-12-02 US disclosed
WO-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed
WO-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed
EP-3687538-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montreal Heart Institute (CA) 2020-08-05 EP disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 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 (5 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-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB ALDH1A1 568/4885KMT2A 4239/4885MAPK1 2839/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB ALDH1A1 334/4885KMT2A 1953/4885MAPK1 1638/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB ALDH1A1 568/4885KMT2A 4239/4885MAPK1 2839/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB ALDH1A1 568/4885KMT2A 4239/4885MAPK1 2839/4885
US-11400082-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB ALDH1A1 568/4885KMT2A 4239/4885MAPK1 2839/4885

“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.