SCHEMBL13299533

SCHEMBL13299533

Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.52
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
PDE10A Q9Y233 4/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 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
SCHEMBL13299540 0.91 NLRP3 (0.51) NLRP3ALDH1A1SIRT2SIRT1KDM4E
SCHEMBL13299537 0.90 NLRP3 (0.50) NLRP3ALDH1A1SIRT2SIRT1KDM4E
SCHEMBL15940200 0.90 ALDH1A1 (0.43) NLRP3ALDH1A1ALOX15TSHRSIRT2
SCHEMBL13299528 0.87 NLRP3 (0.52) NLRP3ALDH1A1SIRT2SIRT1KDM4E
SCHEMBL2456142 0.86 ESR1 (0.51) ALDH1A1ALOX15TSHRKDM4ETP53
SCHEMBL20458041 0.85 ALDH1A1 (0.44) NLRP3ALDH1A1ALOX15TSHRKDM4E
SCHEMBL13299530 0.83 NLRP3 (0.57) NLRP3ALDH1A1SIRT2SIRT1KDM4E
SCHEMBL26027693 0.83 NLRP3 (0.36) NLRP3ALDH1A1ALOX15TSHRPDE10A
SCHEMBL15939833 0.83 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRKDM4ETP53
SCHEMBL13299599 0.82 NLRP3 (0.56) NLRP3ALDH1A1SIRT2SIRT1KDM4E

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 2 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-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 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 (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 651/4885ALDH1A1 695/4885ALOX15 4400/4885

“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.