SCHEMBL970049

SCHEMBL970049

Cc1c(O)c2c(c3c1CCC(C)(CCCCl)O3)C1CCC2CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
GSTP1 P09211 1/20 0.50
TTPA P49638 1/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1I2 O75469 2/20 0.49
ALOX5 P09917 5/20 0.46
CYP4F2 P78329 1/20 0.44
PSEN1 P49768 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
AKT1 P31749 2/20 0.37

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
SCHEMBL29356916 0.85 MAPT (0.66) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL966962 0.78 CYP3A4 (0.44) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL10641369 0.77 MAPT (0.62) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL10642397 0.77 MAPT (0.62) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL10641358 0.77 MAPT (0.62) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL968697 0.76 AKT1 (0.49) LMNANR1I2ALOX5AKT1PDPK1
SCHEMBL20202778 0.74 TTPA (0.69) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL5774561 0.73 AKT1 (0.48) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL8603306 0.73 NR1I2 (0.70) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL967795 0.72 AKT1 (0.47) LMNANR1I2ALOX5AKT1PDPK1

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 MAPT 258/4885LMNA 1044/4885MEN1 3426/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS MAPT 286/4885LMNA 1175/4885MEN1 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.