SCHEMBL692841

SCHEMBL692841

COC(=O)COc1ccc(Cl)cc1C=O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
PTGDR2 Q9Y5Y4 2/20 0.56
PTGDR Q13258 1/20 0.56
LMNA P02545 1/20 0.54
PTGS2 P35354 1/20 0.51
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL15544882 0.85 ALDH1A1 (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL15330964 0.85 ALDH1A1 (0.56) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20798229 0.85 MAPT (0.74) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1714052 0.84 PTGDR2 (0.68) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8121860 0.84 KDM4E (0.67) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2559901 0.83 ALDH1A1 (0.56) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2554750 0.83 ALDH1A1 (0.57) MAPTALDH1A1KDM4EMEN1KMT2A
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.83 MAPT (0.70) MAPTALDH1A1MEN1KMT2APTGDR2
SCHEMBL8782927 0.82 ALDH1A1 (0.64) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2560314 0.82 SMN1; SMN2 (0.71) MAPTALDH1A1KDM4EMEN1KMT2A

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 31 patents — showing the first 20. 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
EP-2235017-B1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-09-14 EP disclosed
EP-2235017-B1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-09-14 EP 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
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US disclosed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 WO disclosed
US-3968117-A CARDIOVASCULAR BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3959296-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 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 (3 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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 MAPT 4232/4885ALDH1A1 1631/4885KDM4E 3892/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS MAPT 4581/4885ALDH1A1 156/4885KDM4E 2117/4885
US-20100273819-A1 3,3'-Spiroindolinone Derivatives SIK3, RB1, CCND3 MAPT 4554/4885ALDH1A1 1228/4885KDM4E 2172/4885

“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.