SCHEMBL971420

SCHEMBL971420

CC1(C)C=Cc2cc(O)c3c(c2O1)C1CCC3CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 8/20 0.36
PPARG P37231 3/20 0.36
PDE4D Q08499 1/20 0.35
RARA P10276 2/20 0.35
TYR P14679 2/20 0.34
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
TTR P02766 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
SCHEMBL12919828 0.94 CYP3A4 (0.37) CYP3A4ALDH1A1HPGDTDP1PTPN1
SCHEMBL5773063 0.72 ALDH1A1 (0.43) CYP3A4ALDH1A1HPGDTDP1PTPN1
SCHEMBL12919831 0.70 PDCD1 (0.34) PTPN1
SCHEMBL970428 0.67 CCR5 (0.35) PTPN1PDE4D
SCHEMBL15052242 0.65 ALDH1A1 (0.42) CYP3A4ALDH1A1HPGDTDP1PTPN1
SCHEMBL8722880 0.64 TYR (0.41) CYP3A4ALDH1A1HPGDTDP1PTPN1
SCHEMBL12947889 0.64
SCHEMBL969003 0.62 CCR5 (0.34) PTPN1
SCHEMBL970067 0.61 PTPN1 (0.46) CYP3A4ALDH1A1TDP1PTPN1HSP90AA1
SCHEMBL8071247 0.60 CA12 (0.42) CYP3A4ALDH1A1HPGDTDP1PTPN1

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-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
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 CYP3A4 1823/4885ALDH1A1 1220/4885HPGD 1022/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS CYP3A4 245/4885ALDH1A1 926/4885HPGD 513/4885

“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.