SCHEMBL691591

SCHEMBL691591

COC(=O)C(C)(C)Oc1cc(F)c(Cl)cc1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
ERN1 O75460 5/20 0.33
LMNA P02545 1/20 0.33
FBP1 P09467 4/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALPL P05186 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL692271 0.78 FBP1 (0.51) ALDH1A1MAPTERN1LMNAFBP1
SCHEMBL31631787 0.76 ALDH1A1 (0.57) ALDH1A1MAPTERN1LMNAKDM4E
SCHEMBL692277 0.76 ALDH1A1 (0.57) ALDH1A1MAPTERN1LMNAKDM4E
SCHEMBL13092344 0.74 MDM2 (0.48)
SCHEMBL2904184 0.71 FBP1 (0.36) ALDH1A1ERN1FBP1KDM4ETSHR
SCHEMBL1185262 0.71 ALDH1A1 (0.59) ALDH1A1MAPTERN1LMNAKDM4E
SCHEMBL31118454 0.69 LMNA (0.36) ALDH1A1MAPTLMNAFBP1POLB
SCHEMBL21335513 0.69 LMNA (0.51) ALDH1A1ERN1LMNAFBP1HTT
SCHEMBL2424582 0.68 LMNA (0.38) ALDH1A1MAPTLMNAFBP1POLB
SCHEMBL1619277 0.68 SCN9A (0.37) ERN1LMNAFBP1APEX1TSHR

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
EP-2421866-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
US-8076482-B2 3,3′-spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-13 US disclosed
US-8076482-B2 3,3′-spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-13 US disclosed
US-8076482-B2 3,3′-spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-13 US disclosed
WO-2010121995-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 US disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 US disclosed
US-20100273819-A1 3,3'-Spiroindolinone Derivatives CHEN LI 2010-10-28 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-20100273819-A1 3,3'-Spiroindolinone Derivatives SIK3, RB1, CCND3 ALDH1A1 1228/4885MAPT 4554/4885ERN1 1293/4885

“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.