SCHEMBL13489641

SCHEMBL13489641

Cc1ccc(OC(C)(C)C)c(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.32
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
PTPN1 P18031 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL24608083 0.90 KCNH2 (0.33) KCNH2
SCHEMBL29779784 0.86 PTPN1 (0.32) NCEH1PTPN1
SCHEMBL16317225 0.82 NCEH1 (0.30) NCEH1
SCHEMBL28974945 0.80 GABRA1 (0.36) TRPA1ATMALDH1A1
SCHEMBL16707468 0.79 SCN5A (0.35) NCEH1TRPA1ATM
SCHEMBL147382 0.79 MAPT (0.47) TRPA1ATMKCNH2ALDH1A1
SCHEMBL28306903 0.77 MAPT (0.46) TRPA1ATMKCNH2
SCHEMBL28974998 0.77 TRPA1 (0.38) TRPA1ATMKCNH2ALDH1A1
SCHEMBL15310018 0.77
SCHEMBL11553756 0.75 KCNH2 (0.43) TRPA1ATMKCNH2ALDH1A1

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-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 NCEH1 62/4885TRPA1 4872/4885ATM 4180/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 NCEH1 56/4885TRPA1 4834/4885ATM 4041/4885

“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.