SCHEMBL6805547

SCHEMBL6805547

COc1ccc(C(C)(C)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
LDHA P00338 1/20 0.38
KIF11 P52732 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AOC3 Q16853 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MMP13 P45452 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 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
SCHEMBL20732298 0.87 ELANE (0.48) MAPTALDH1A1TDP1L3MBTL1MMP13
SCHEMBL22069882 0.86 ESR1 (0.36) KIF11ALDH1A1LMNAHSD17B10MMP13
SCHEMBL20732299 0.86 ESR1 (0.36) KIF11ALDH1A1LMNAHSD17B10MMP13
SCHEMBL58396 0.86 MMP13 (0.40) MAPTKIF11ALDH1A1ALOX15L3MBTL1
SCHEMBL88460 0.86 MMP13 (0.40) MAPTKIF11ALDH1A1ALOX15L3MBTL1
SCHEMBL5981030 0.86 MMP13 (0.40) MAPTKIF11ALDH1A1ALOX15L3MBTL1
SCHEMBL20723962 0.85 AAK1 (0.35) MAPTALDH1A1MAPK1MMP13MEN1
SCHEMBL16176598 0.85 AAK1 (0.40) MAPTLDHAKIF11ALDH1A1RECQL
SCHEMBL16176596 0.85 AAK1 (0.40) MAPTLDHAKIF11ALDH1A1RECQL
SCHEMBL6675259 0.84 CA12 (0.39) MAPTALDH1A1ALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 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 (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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN MAPT 4461/4885TUBB1 199/4885LDHA 268/4885

“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.