SCHEMBL3436895

SCHEMBL3436895

CCOC(=O)C(C)Cc1cc(C)c(F)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
MMP8 P22894 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL12035905 0.83 EPHX2 (0.40) EPHX2PPARGMMP8ALDH1A1TSHR
SCHEMBL2304683 0.82 PTPN11 (0.41) EPHX2PPARGMMP8ALDH1A1
SCHEMBL12035915 0.80 EPHX2 (0.43) EPHX2PPARGALDH1A1TSHR
SCHEMBL8574971 0.78 EPHX2 (0.51) EPHX2PPARGMMP8TSHR
SCHEMBL14847452 0.78 PPARG (0.52) EPHX2PPARGMMP8ALDH1A1TSHR
SCHEMBL25218960 0.78 ALDH1A1 (0.47) EPHX2PPARGALDH1A1TSHR
SCHEMBL31067887 0.78 ALDH1A1 (0.47) EPHX2PPARGALDH1A1TSHR
SCHEMBL21364654 0.77 CYP2D6 (0.49) TSHRCYP2D6KCNH2
SCHEMBL11558323 0.77 SMN1; SMN2 (0.44) EPHX2ALDH1A1TSHR
SCHEMBL3437183 0.77 CYP2D6 (0.49) TSHRCYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807720-B2 Hydroxamic acid derivatives of 3-phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC (US) 2010-10-05 US disclosed
US-7807720-B2 Hydroxamic acid derivatives of 3-phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC (US) 2010-10-05 US disclosed
US-7807720-B2 Hydroxamic acid derivatives of 3-phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC (US) 2010-10-05 US disclosed
WO-2008147480-A2 HYDROXAMIC ACID DERIVATIVES OF 3-PHENYL PROPIONIC ACIDS USEFUL AS THRAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC. (US) 2008-12-04 WO disclosed
WO-2008147480-A2 HYDROXAMIC ACID DERIVATIVES OF 3-PHENYL PROPIONIC ACIDS USEFUL AS THRAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC. (US) 2008-12-04 WO disclosed
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PAN THERA BIOPHARMA,LLC 2008-08-07 US disclosed
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PAN THERA BIOPHARMA,LLC 2008-08-07 US disclosed
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PAN THERA BIOPHARMA,LLC 2008-08-07 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 (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-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning ANTXR2, PAOX, AGXT EPHX2 1624/4885PPARG 184/4885MMP8 1080/4885

“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.