SCHEMBL5795671

SCHEMBL5795671

Cc1c(C)c2c(c([N+](=O)[O-])c1O)CCC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CCR5 P51681 1/20 0.39
TTPA P49638 4/20 0.39
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
GSTP1 P09211 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1I2 O75469 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
ALOX5 P09917 4/20 0.34
STS P08842 1/20 0.34

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
SCHEMBL5772168 0.83 PTGS1 (0.46) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5839613 0.81 TTPA (0.38) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5773441 0.79 ALOX5 (0.53) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL633424 0.78 CYP3A4 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13542488 0.77 TTPA (0.35) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL968071 0.77 CCR5 (0.40) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13543415 0.77 TTPA (0.35) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1285835 0.75 MAOA (0.43) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL3134545 0.75 CYP3A4 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1285831 0.74 CYP3A4 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US disclosed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US disclosed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects EDISON PHARMACEUTICALS, INC. 2005-03-24 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-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN PTGS1 3200/4885PTGS2 3398/4885CYP1A2 2091/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 PTGS1 2790/4885PTGS2 2651/4885CYP1A2 2253/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 PTGS1 2790/4885PTGS2 2651/4885CYP1A2 2253/4885

“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.