SCHEMBL19969290

SCHEMBL19969290

CCCCCOc1cnc(C)c(O)c1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
AOC3 Q16853 4/20 0.45
LOX P28300 2/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHUK O15111 1/20 0.36
DAPK3 O43293 1/20 0.36

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
SCHEMBL19969259 0.98 LMNA (0.49) LMNAAOC3LOXKDM4EALDH1A1
SCHEMBL9970102 0.86 AOC3 (0.45) LMNAAOC3LOXKDM4EMEN1
SCHEMBL9970103 0.84 AOC3 (0.44) LMNAAOC3LOXHSD17B10MEN1
SCHEMBL14646864 0.80 LMNA (0.56) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12677316 0.79 LMNA (0.57) LMNAAOC3LOXKDM4EALDH1A1
SCHEMBL25609280 0.74 AOC3 (0.57) LMNAAOC3MAPTLTA4H
SCHEMBL28052195 0.71 CHUK (0.41) LMNAALDH1A1HPGDMEN1NR1I2
SCHEMBL16021958 0.71 LMNA (0.56) LMNAAOC3LOXKDM4EALDH1A1
SCHEMBL12948943 0.71 LMNA (0.65) LMNAAOC3KDM4EALDH1A1HPGD
SCHEMBL14682728 0.71 LMNA (0.65) LMNAAOC3KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200138747-A1 METHODS FOR TREATING ATHEROSCLEROSIS WITH GAMMA-KETOALDEHYDE SCAVENGERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-07 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
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-20180153827-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. 2018-06-07 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 (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-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-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-20200138747-A1 METHODS FOR TREATING ATHEROSCLEROSIS WITH GAMMA-KETOALDEHYDE SCAVENGERS HMGCR, CTH, GSTK1 LMNA 704/4885AOC3 516/4885LOX 29/4885
US-20180153827-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

“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.