SCHEMBL5773063

SCHEMBL5773063

Cc1c(O)cc2c(c1C)OC(C)(C)C=C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE4D Q08499 1/20 0.39
ALOX5 P09917 2/20 0.36
PTPN1 P18031 4/20 0.36
TYR P14679 2/20 0.35
RARA P10276 1/20 0.35
IDO1 P14902 2/20 0.34
PTGS1 P23219 1/20 0.34
AKT1 P31749 2/20 0.33
PDPK1 O15530 1/20 0.33
PHLPP1 O60346 1/20 0.33
ILK Q13418 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL971420 0.72 CYP3A4 (0.38) ALDH1A1CYP3A4HPGDTDP1PDE4D
SCHEMBL5266203 0.70 ALOX5 (0.41) ALDH1A1CYP3A4HPGDTDP1PDE4D
SCHEMBL12919828 0.70 CYP3A4 (0.37) ALDH1A1CYP3A4HPGDTDP1PDE4D
SCHEMBL15052242 0.70 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDTDP1PDE4D
SCHEMBL11014320 0.70 ODC1 (0.48) ALDH1A1PDE4DPTPN1
SCHEMBL9464495 0.69 PDE4D (0.60) ALDH1A1CYP3A4HPGDPDE4DPTPN1
SCHEMBL8722880 0.69 TYR (0.41) ALDH1A1CYP3A4HPGDTDP1PDE4D
SCHEMBL9464016 0.66 KDM4E (0.44) ALDH1A1CYP3A4HPGDPDE4DPTPN1
SCHEMBL11015336 0.66 ODC1 (0.44) PDE4DIDO1
SCHEMBL8071247 0.66 CA12 (0.42) ALDH1A1CYP3A4HPGDTDP1PDE4D

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-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US disclosed
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US disclosed
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-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 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 ALDH1A1 674/4885CYP3A4 2690/4885HPGD 1853/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 ALDH1A1 792/4885CYP3A4 3089/4885HPGD 1359/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 ALDH1A1 792/4885CYP3A4 3089/4885HPGD 1359/4885

“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.