SCHEMBL2220041

SCHEMBL2220041

COc1ccc(COCc2c[n+]([O-])c(C)c3c2COC(C)(C)O3)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APP P05067 2/20 0.31
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL5666626 0.89 ALDH1A1 (0.36) ALDH1A1MAPK1KMT2A
SCHEMBL24065239 0.87 CA1 (0.35) ALDH1A1MAPK1KMT2AGLANPSR1
SCHEMBL2219213 0.78 ALDH1A1 (0.57) ALDH1A1MAPK1KMT2AGLANPSR1
SCHEMBL1503186 0.74 MAPK1 (0.41) ALDH1A1MAPK1KMT2AGLANPSR1
SCHEMBL1503248 0.73 ALDH1A1 (0.39) ALDH1A1MAPK1KMT2ASMN1; SMN2HDAC4
SCHEMBL1503282 0.73 ALDH1A1 (0.40) ALDH1A1MAPK1KMT2AGLANPSR1
SCHEMBL1503087 0.72 EGLN1 (0.40) ALDH1A1MAPK1KMT2APKMSMN1; SMN2
SCHEMBL2220510 0.71 UCHL1 (0.40) ALDH1A1MAPK1KMT2ASMN1; SMN2IDO1
SCHEMBL1503084 0.70 SMPD1 (0.39) ALDH1A1MAPK1KMT2AHDAC4HDAC6
SCHEMBL34413 0.64 IDO1 (0.67) ALDH1A1SMN1; SMN2APPIDO1AGXT

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 11 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
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 568/4885MAPK1 2839/4885KMT2A 4239/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB ALDH1A1 334/4885MAPK1 1638/4885KMT2A 1953/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB ALDH1A1 568/4885MAPK1 2839/4885KMT2A 4239/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB ALDH1A1 568/4885MAPK1 2839/4885KMT2A 4239/4885
US-11400082-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB ALDH1A1 568/4885MAPK1 2839/4885KMT2A 4239/4885

“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.