SCHEMBL274891

SCHEMBL274891

CC(C)(C)[Si](C)(C)OCCCc1ccc(Oc2ccc(Br)cc2C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
CA9 Q16790 1/20 0.34
PPARG P37231 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
SLC6A4 P31645 2/20 0.32
HPGD P15428 2/20 0.32
DUT P33316 1/20 0.32
NPC1 O15118 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL279119 0.81 HPGD (0.35) CYP1A2CYP2C19ALDH1A1LMNACYP2C9
SCHEMBL3365594 0.79 PTGDR2 (0.51) PTGDR2CA9CYP1A2CYP2C19ALDH1A1
SCHEMBL276597 0.78 PTGDR2 (0.47) PTGDR2CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL410888 0.77 DUT (0.40) ALDH1A1DUTNPC1RAB9ASMN1; SMN2
SCHEMBL4056078 0.75 PTGDR2 (0.40) PTGDR2CA9ALDH1A1LMNAHPGD
SCHEMBL17558158 0.74 TUBB1 (0.41) PTGDR2CA9PPARGALDH1A1LMNA
SCHEMBL664372 0.74 ALDH1A1 (0.42) PPARGALDH1A1LMNAHPGDDUT
SCHEMBL12284225 0.73 DUT (0.40) ALDH1A1DUTNPC1RAB9ASMN1; SMN2
SCHEMBL28500163 0.73 PTGDR2 (0.48) PTGDR2CA9ALDH1A1LMNAHPGD
SCHEMBL17558097 0.73 TUBB1 (0.43) CA9PPARGALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2229396-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT PTGDR2 996/4885CA9 1450/4885PPARG 460/4885

“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.