SCHEMBL13299543

SCHEMBL13299543

Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1CC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ACSS2 Q9NR19 1/20 0.38
PDE10A Q9Y233 8/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PSMB5 P28074 1/20 0.35

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
SCHEMBL13299542 0.88 NLRP3 (0.52) NLRP3SIRT2SIRT1ACSS2PDE10A
SCHEMBL13299523 0.87 ESR1 (0.48) TP53ALDH1A1KDM4EMAPTESR1
SCHEMBL13299541 0.83 NLRP3 (0.52) NLRP3SIRT2SIRT1ACSS2PDE10A
SCHEMBL13299532 0.80 NLRP3 (0.57) NLRP3SIRT2SIRT1ACSS2PDE10A
SCHEMBL13299596 0.79 NLRP3 (0.56) NLRP3SIRT2SIRT1ACSS2PDE10A
SCHEMBL13299528 0.79 NLRP3 (0.52) NLRP3SIRT2SIRT1ACSS2PDE10A
SCHEMBL15940224 0.77 NLRP3 (0.47) NLRP3SIRT2SIRT1TP53MAPT
SCHEMBL1104831 0.76 NLRP3 (0.61) NLRP3SIRT2SIRT1PDE10AALDH1A1
SCHEMBL10979856 0.74 NLRP3 (0.60) NLRP3SIRT2SIRT1PDE10AALDH1A1
SCHEMBL13299520 0.74 ESR1 (0.48) TP53ALDH1A1KDM4EMAPTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
WO-2010056669-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-05-20 WO 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-20100141127-A1 PHOSPHORESCENT EMITTERS PAICS, TYMP, NUDT1 NLRP3 651/4885SIRT2 2217/4885SIRT1 2613/4885

“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.