SCHEMBL5772432

SCHEMBL5772432

COc1c(O)c(C)c(C)c2c1CCC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
CYP3A4 P08684 2/20 0.46
PTGS1 P23219 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CCR5 P51681 1/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
GSTP1 P09211 1/20 0.37
TTPA P49638 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1I2 O75469 2/20 0.36
TP53 P04637 1/20 0.36
PDE4D Q08499 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL11857451 0.84 CYP3A4 (0.42) PTGS2CYP3A4PTGS1CYP1A2TSHR
SCHEMBL12434165 0.83 PTGS1 (0.40) PTGS2CYP3A4PTGS1CYP1A2TSHR
SCHEMBL27855951 0.82 PTGS1 (0.45) PTGS2CYP3A4PTGS1CYP1A2TSHR
Apc-100 SCHEMBL633424 0.82 CYP3A4 (0.64) PTGS2CYP3A4PTGS1CYP1A2TSHR
SCHEMBL1284918 0.79 HSP90AA1 (0.42) PTGS2CYP3A4PTGS1CYP1A2TSHR
SCHEMBL14283913 0.78 CYP3A4 (0.39) PTGS2CYP3A4PTGS1CYP1A2TSHR
SCHEMBL14283903 0.78 AKT1 (0.39) PTGS2CYP3A4PTGS1CYP1A2TSHR
SCHEMBL1285776 0.78 MALT1 (0.39) PTGS2CYP3A4PTGS1CYP1A2TSHR
SCHEMBL5838918 0.78 PDE4D (0.36) PTGS2CYP3A4PTGS1CYP1A2TSHR
SCHEMBL1285831 0.78 CYP3A4 (0.48) PTGS2CYP3A4PTGS1CYP1A2TSHR

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-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US claimed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US claimed
US-20060106014-A1 Methods for treating diabetes ELI LILLY AND COMPANY 2006-05-18 US claimed
WO-2006044556-A2 DUAL INHIBITORS OF LIPOXYGENASE FOR TREATING DIABETES GALILEO PHARMACEUTICALS, INC. (US) 2006-04-27 WO claimed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO claimed
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 claimed
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
US-20060106014-A1 Methods for treating diabetes ELI LILLY AND COMPANY 2006-05-18 US disclosed
WO-2006044556-A2 DUAL INHIBITORS OF LIPOXYGENASE FOR TREATING DIABETES GALILEO PHARMACEUTICALS, INC. (US) 2006-04-27 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 (4 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-20060106014-A1 Methods for treating diabetes ALOX5, ALOX15, ALOX15B PTGS2 60/4885CYP3A4 689/4885PTGS1 89/4885
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN PTGS2 3398/4885CYP3A4 2690/4885PTGS1 3200/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 PTGS2 2651/4885CYP3A4 3089/4885PTGS1 2790/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 PTGS2 2651/4885CYP3A4 3089/4885PTGS1 2790/4885

“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.