SCHEMBL276597

SCHEMBL276597

O=Cc1cc(Br)ccc1Oc1ccc(CCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
ERN1 O75460 1/20 0.40
PPARA Q07869 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
CDK1 P06493 1/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP4A11 Q02928 1/20 0.35
FFAR1 O14842 1/20 0.35
CCR5 P51681 2/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL12437210 0.84 PPARA (0.38) PPARALTA4HEPHX2CDK1LMNA
SCHEMBL274891 0.78 PTGDR2 (0.37) PTGDR2ERN1LMNAKMT2AALDH1A1
SCHEMBL12953063 0.76 THRB (0.41) LMNAGAAALDH1A1CYP1A2CYP2C9
SCHEMBL275629 0.76 LMNA (0.61) PTGDR2ERN1LMNAGAAKMT2A
SCHEMBL274863 0.76 PTGDR2 (0.48) PTGDR2ERN1LMNAGAAKMT2A
SCHEMBL2075254 0.75 LMNA (0.62) PTGDR2ERN1LMNAGAAKMT2A
SCHEMBL276096 0.72 SLC6A4 (0.56) PTGDR2ERN1LMNAGAAKMT2A
SCHEMBL9077723 0.72 PTGDR2 (0.58) PTGDR2LMNAGAAKMT2AALDH1A1
SCHEMBL13580942 0.72 PTGDR2 (0.44) PTGDR2ERN1LMNAGAAKMT2A
SCHEMBL12225949 0.72 PTGDR2 (0.44) PTGDR2ERN1LMNAGAAKMT2A

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 10 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
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
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
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 996/4885ERN1 2608/4885PPARA 369/4885

“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.