SCHEMBL2998076

SCHEMBL2998076

CCOC(=O)Cc1cc(O)cc2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.48
NR4A1 P22736 1/20 0.45
EGFR P00533 2/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL2998422 0.83 NLRP3 (0.46) NLRP3SMN1; SMN2CYP3A4ALDH1A1MAPT
Racemethionine SCHEMBL4374692 0.83 NLRP3 (0.36) NLRP3NR4A1EGFR
SCHEMBL13038941 0.78 NLRP3 (0.42) NLRP3ALDH1A1LMNAMAPTKDM4E
SCHEMBL3000425 0.77 NLRP3 (0.43) NLRP3ALDH1A1LMNANPC1MAPT
SCHEMBL9181008 0.77 ALDH1A1 (0.47) NLRP3SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL21439368 0.74 NLRP3 (0.44) NLRP3NR4A1EGFRSMN1; SMN2TDP1
SCHEMBL11965264 0.72 EGFR (0.58) NLRP3NR4A1EGFRCA12CA1
SCHEMBL6988206 0.71 NLRP3 (0.45) NLRP3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL136459 0.70 EGFR (0.56) NLRP3NR4A1EGFRCA12CA1
SCHEMBL27797500 0.69 EGFR (0.74) NR4A1EGFRCA12CA1CA2

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-7825124-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-11-02 US disclosed
US-7786123-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-08-31 US disclosed
US-20090318463-A1 Indolylmaleimide Derivatives ALBERT RAINER 2009-12-24 US disclosed
EP-1337527-B1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20070184061-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-08-09 US disclosed
US-20070155817-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-07-05 US disclosed
US-7220774-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-05-22 US disclosed
US-20040053949-A1 Indolylmaleimide derivatives ALBERT RAINER (CH) 2004-03-18 US disclosed
US-6645970-B2 Preventing T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer NOVARTIS AG (CH) 2003-11-11 US disclosed
US-20030069424-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2003-04-10 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 (5 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-20090318463-A1 Indolylmaleimide Derivatives NFATC1, INMT, IDO1 NLRP3 592/4885NR4A1 2033/4885EGFR 3954/4885
US-20030069424-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NLRP3 592/4885NR4A1 2033/4885EGFR 3954/4885
US-20040053949-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NLRP3 592/4885NR4A1 2033/4885EGFR 3954/4885
US-20070155817-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NLRP3 592/4885NR4A1 2033/4885EGFR 3954/4885
US-20070184061-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 NLRP3 592/4885NR4A1 2033/4885EGFR 3954/4885

“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.