SCHEMBL829972

SCHEMBL829972

COC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
LMNA P02545 4/20 0.64
MEN1 O00255 4/20 0.64
RAB9A P51151 3/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 2/20 0.56
HTR2A P28223 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
AGTR1 P30556 1/20 0.49
OPRK1 P41145 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11468330 0.93 MEN1 (0.64) KMT2ALMNAMEN1RAB9AMAPT
SCHEMBL16261887 0.87 HTR2A (0.59) KMT2ALMNAMEN1RAB9AMAPT
SCHEMBL830301 0.86 LMNA (0.56) KMT2ALMNAMEN1RAB9AMAPT
SCHEMBL655938 0.84 MAPT (0.58) KMT2ALMNAMEN1RAB9AMAPT
SCHEMBL4250581 0.84 KMT2A (0.58) KMT2ALMNAMEN1MAPTSMN1; SMN2
SCHEMBL12483563 0.83 LMNA (0.59) KMT2ALMNAMEN1RAB9AMAPT
SCHEMBL28577071 0.83 LMNA (0.59) KMT2ALMNAMEN1RAB9AMAPT
SCHEMBL829966 0.83 LMNA (0.59) KMT2ALMNAMEN1RAB9AMAPT
SCHEMBL657614 0.83 ALDH1A1 (0.59) KMT2ALMNAMEN1RAB9AMAPT
SCHEMBL9365950 0.83 HTR2A (0.55) KMT2ALMNAMEN1RAB9AMAPT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979907-A Cyclohexane-1, 3-dione compound and application thereof 郑州恒诚仪器耗材有限公司 2022-01-28 CN disclosed
CN-111205208-B Cyclohexane-1, 3-diketone compound and synthetic method and application thereof 郑州恒诚仪器耗材有限公司 2021-12-17 CN disclosed
CN-111205208-A Cyclohexane-1, 3-diketone compound and synthetic method and application thereof 郑州手性药物研究院有限公司 2020-05-29 CN disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
EP-1937182-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES Bezwada Biomedical LLC (US) 2008-07-02 EP disclosed
EP-1931334-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM Bezwada Biomedical LLC (US) 2008-06-18 EP disclosed
WO-2007030538-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
WO-2007030464-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
WO-2007030464-A2 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
US-20060188547-A1 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2006-08-24 US disclosed
US-20060172983-A1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2006-08-03 US disclosed
US-5545742-A 6-heterocyclyl-1-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID CO. (US) 1996-08-13 US disclosed
US-5523277-A PRE- AND POST-EMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-06-04 US disclosed
US-5496954-A MULTISTEP SYNTHESIS AMERICAN CYANAMID CO. (US) 1996-03-05 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 (3 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-20060172983-A1 Functionalized drugs and polymers derived therefrom OGFR, LOX, OPRM1 KMT2A 3676/4885LMNA 1845/4885MEN1 4307/4885
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM KMT2A 4067/4885LMNA 2228/4885MEN1 941/4885
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM KMT2A 4067/4885LMNA 2228/4885MEN1 941/4885

“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.