SCHEMBL970035

SCHEMBL970035

CC(C)=CCc1c(O)c2c(c3c1CCC(C)(C)O3)C1C=CC2CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
NUDT1 P36639 1/20 0.39
PDE9A O76083 1/20 0.39
PTGS2 P35354 1/20 0.38
CTSL P07711 1/20 0.36
CCR5 P51681 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
OSBP P22059 3/20 0.34
PTPN1 P18031 1/20 0.33
BCHE P06276 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL967680 0.85 CYP19A1 (0.41) CYP19A1NUDT1PDE9APTGS2CTSL
SCHEMBL968657 0.83 PDE9A (0.41) CYP19A1NUDT1PDE9APTGS2CTSL
SCHEMBL968269 0.80 ABCG2 (0.35) ABCG2MEN1POLBMAPTXBP1
SCHEMBL1285627 0.77 CYP19A1 (0.44) CYP19A1NUDT1PDE9APTGS2CTSL
SCHEMBL6386430 0.74 CYP19A1 (0.44) CYP19A1NUDT1PDE9APTGS2CTSL
SCHEMBL18027843 0.71 CYP19A1 (0.43) CYP19A1NUDT1PDE9APTGS2CTSL
SCHEMBL969716 0.69 NUDT1 (0.38) CYP19A1NUDT1PDE9APTGS2CTSL
SCHEMBL968168 0.68 ALOX5 (0.46) CTSL
SCHEMBL969447 0.67 CCR5 (0.35) CCR5
SCHEMBL6243212 0.67 CTSL (0.37) CYP19A1NUDT1PDE9APTGS2CTSL

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-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US disclosed
US-7875607-B2 Neurodegenerative disorders; antiinflammatory agents; antiischemic agents; neuropathic pain; antiepileptic agents; Parkinson's disease; Alzheimer's disease; antidiabetic agents; 3-(6-Hydroxy-2-methyl-3,4,7,8,9,10-hexahydro-7,10-methano-2H -benzo[h]chromen-2-yl)-propionic acid methyl ester AMPERE LIFE SCIENCES, INC. (US) 2011-01-25 US disclosed
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES EDISON PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-7470798-B2 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents EDISON PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
US-20050065149-A1 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents PTC THERAPEUTICS, INC. 2005-03-24 US 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 (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-20050065149-A1 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents NLN, ACAA2, CS CYP19A1 2232/4885NUDT1 1930/4885PDE9A 3248/4885
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN CYP19A1 972/4885NUDT1 3970/4885PDE9A 3799/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 CYP19A1 1319/4885NUDT1 3847/4885PDE9A 3883/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 CYP19A1 1319/4885NUDT1 3847/4885PDE9A 3883/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS CYP19A1 298/4885NUDT1 1909/4885PDE9A 766/4885

“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.