SCHEMBL970067

SCHEMBL970067

CC(C)=CCc1c(O)c2c(c3c1C=CC(C)(C)O3)C1CCC2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.46
CYP3A4 P08684 5/20 0.46
MEN1 O00255 3/20 0.45
USP2 O75604 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
ALOX15 P16050 3/20 0.45
KMT2A Q03164 3/20 0.45
HDAC3 O15379 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45

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
SCHEMBL969511 0.84 CYP3A4 (0.50) PTPN1CYP3A4MEN1USP2ALDH1A1
SCHEMBL968258 0.77 ABCG2 (0.36) CYP3A4MEN1MAPTKMT2APOLB
SCHEMBL968657 0.74 PDE9A (0.41) PTPN1MEN1MAPTKMT2APOLB
SCHEMBL967680 0.69 CYP19A1 (0.41) PTPN1
SCHEMBL968424 0.68 ALOX5 (0.45) PTGESALOX5
SCHEMBL12919828 0.67 CYP3A4 (0.37) PTPN1CYP3A4ALDH1A1HSP90AA1TDP1
Lupinifolin SCHEMBL6207285 0.66 MAPT (0.68) PTPN1MEN1MAPTKMT2AMAPK1
SCHEMBL29442951 0.66 ODC1 (0.65) PTPN1CYP3A4MEN1MAPTKMT2A
Garcinone B SCHEMBL17056912 0.65 PDE4D (0.62) PTPN1CYP3A4MEN1USP2ALDH1A1
SCHEMBL17056911 0.65 PTPN1 (0.46) PTPN1CYP3A4MEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2005033093-A1 7,8-BICYCLOALKYL-CHROMAN DERIVATIVES 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PTPN1 3023/4885CYP3A4 1823/4885MEN1 3426/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS PTPN1 3925/4885CYP3A4 245/4885MEN1 3900/4885

“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.