SCHEMBL6312392

SCHEMBL6312392

CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC1(CCOCC1)S2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.38
▸ CNR1 P21554 6/20 0.38
▸ IDH1 O75874 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA2 P00918 3/20 0.31
▸ CA1 P00915 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7732349 0.88 CA2 (0.33) CA2CA1ALDH1A1POLBTYR
SCHEMBL7528155 0.86 ALDH1A1 (0.33) CA2CA1ALDH1A1POLBTYR
SCHEMBL6306672 0.86 ALDH1A1 (0.33) CA2CA1ALDH1A1POLBTYR
SCHEMBL7533231 0.86 ALDH1A1 (0.33) CA2CA1ALDH1A1POLBTYR
SCHEMBL6308900 0.77 CA2 (0.40) MEN1KMT2ACA2CA1ALDH1A1
SCHEMBL7522979 0.74 CA2 (0.33) CA2CA1ALDH1A1POLBTYR
SCHEMBL7524824 0.74 CA2 (0.33) MEN1KMT2ACA2CA1ALDH1A1
Dimethylamine SCHEMBL6307740 0.74 CA2 (0.37) MEN1KMT2ACA2CA1ALDH1A1
SCHEMBL6306885 0.73 ALDH1A1 (0.33) MEN1KMT2ACA2CA1ALDH1A1
SCHEMBL7523511 0.73 CA2 (0.33) CA2CA1ALDH1A1POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159476-A1 Pharmaceutical composition for preventing or treating respiratory disease CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-07-21 — — US disclosed
US-6133279-A A 2,6-DI-T-BUTYLPHENOL DERIVATIVE FOR RENAL DISEASES, E.G., CHRONIC RENAL FAILURE, DIABETIC NEPHROPATHY GLOMERULAR NEPHRITIS, IMMUNOCOMPLEX NEPHRITIS AND ACUTE RENAL FAILURE; CYTOPROTECTIVE AGENT THAT INHIBITS THE LIPID PEROXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-17 — — US disclosed
EP-0950405-A1 REMEDIES FOR RENAL DISEASES AND ORGAN-PRESERVING AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-20 — — EP 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 (1 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-20050159476-A1 Pharmaceutical composition for preventing or treating respiratory disease CFTR, CMA1, SLC5A1 CNR2 2414/4885CNR1 1582/4885IDH1 4428/4885

“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.

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