SCHEMBL19969259

SCHEMBL19969259

CCCCCCOc1cnc(C)c(O)c1CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
AOC3 Q16853 4/20 0.44
LOX P28300 2/20 0.44
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR5A1 Q13285 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL19969290 0.98 LMNA (0.50) LMNAAOC3LOXMEN1NR1I2
SCHEMBL9970103 0.86 AOC3 (0.44) LMNAAOC3LOXMEN1NR1I2
SCHEMBL9970102 0.84 AOC3 (0.45) LMNAAOC3LOXMEN1NR1I2
SCHEMBL14646864 0.79 LMNA (0.56) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28052195 0.73 CHUK (0.41) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL16021958 0.70 LMNA (0.56) LMNAAOC3LOXMEN1KMT2A
SCHEMBL12948943 0.70 LMNA (0.65) LMNAAOC3MEN1KMT2AKDM4E
SCHEMBL14682728 0.70 LMNA (0.65) LMNAAOC3MEN1KMT2AKDM4E
SCHEMBL28214210 0.70 ESR1 (0.40) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL24319905 0.70 KDM4E (0.44) LMNAMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH, INC. 2023-10-19 US disclosed
US-20230181494-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER MTI BIOTECH, INC. 2023-06-15 US disclosed
US-10975033-B2 Methods for treating inflammation and hypertension with γ-ketoaldehyde skavengers VANDERBILT UNIVERSITY (US) 2021-04-13 US disclosed
US-10688109-B1 Methods of preventing platelet activation VANDERBILT UNIVERSITY (US) 2020-06-23 US disclosed
US-20190314302-A1 USE OF 2-HYDROXYBENZYLAMINE IN THE TREATMENT AND PREVENTION OF PULMONARY HYPERTENSION VANDERBILT UNIVERSITY 2019-10-17 US disclosed
US-20190247375-A1 Prevention And Treatment Of Atrial Fibrillation/Flutter With Gamma-Ketoaldehyde Scavengers VANDERBILT UNIVERSITY 2019-08-15 US disclosed
US-20190240170-A1 Use of Scavengers of Reactive Gamma-Ketoaldehydes to Extend Cell Lifespan and Healthspan VANDERBILT UNIVERSITY 2019-08-08 US disclosed
US-20190099387-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH 2019-04-04 US disclosed
WO-2019050967-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER METABOLIC TECHNOLOGIES, INC. (US) 2019-03-14 WO disclosed
US-10166248-B1 Methods of preventing platelet activation VANDERBILT UNIVERSITY (US) 2019-01-01 US disclosed
WO-2018093936-A1 USE OF 2-HYDROXYBENZYLAMINE IN THE TREATMENT AND PREVENTION OF PULMONARY HYPERTENSION VANDERBILT UNIVERSITY (US) 2018-05-24 WO disclosed
WO-2018048932-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER METABOLIC TECHNOLOGIES, INC. (US) 2018-03-15 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 (9 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-10975033-B2 Methods for treating inflammation and hypertension with γ-ketoaldehyde skavengers NFKBIA, AKR1B1, TNF LMNA 1000/4885AOC3 729/4885LOX 162/4885
US-10166248-B1 Methods of preventing platelet activation PFKP, PLG, PRKG1 LMNA 433/4885AOC3 3168/4885LOX 57/4885
US-20190314302-A1 USE OF 2-HYDROXYBENZYLAMINE IN THE TREATMENT AND PREVENTION OF PULMONARY HYPERTENSION SIRT3, SIRT2, GLS LMNA 1073/4885AOC3 3538/4885LOX 2090/4885
US-10688109-B1 Methods of preventing platelet activation PFKP, PLG, PRKG1 LMNA 433/4885AOC3 3168/4885LOX 57/4885
US-20230181494-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER CPT1A, AKR7A2, FABP1 LMNA 703/4885AOC3 480/4885LOX 145/4885
US-20190247375-A1 Prevention And Treatment Of Atrial Fibrillation/Flutter With Gamma-Ketoaldehyde Scavengers KCNH1, AKR7A2, GLO1 LMNA 837/4885AOC3 860/4885LOX 464/4885
US-20190099387-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 LMNA 1628/4885AOC3 615/4885LOX 139/4885
US-20190240170-A1 Use of Scavengers of Reactive Gamma-Ketoaldehydes to Extend Cell Lifespan and Healthspan HOGA1, GLB1, HAGH LMNA 946/4885AOC3 1716/4885LOX 759/4885
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 LMNA 1628/4885AOC3 615/4885LOX 139/4885

“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.