SCHEMBL3535118

SCHEMBL3535118

CC(C)(C)c1cc(-n2nc3c(-c4cccs4)ccc(-c4cccs4)c3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
PTGS1 P23219 5/20 0.40
ALOX5 P09917 4/20 0.40
HSP90AA1 P07900 1/20 0.34
MAPT P10636 4/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
NFKB1 P19838 1/20 0.33
AHR P35869 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ERN1 O75460 1/20 0.33
TOP2A P11388 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL13368157 0.89 ALOX5 (0.33) PTGS2PTGS1ALOX5
SCHEMBL3532986 0.81 CYP1A2 (0.41) PTGS2ALOX5HSP90AA1TSHRMEN1
SCHEMBL3531366 0.81 HSP90AA1 (0.34) PTGS2PTGS1HSP90AA1TSHRCYP1A2
SCHEMBL14648340 0.78 PTGS1 (0.48) PTGS2PTGS1ALOX5HSP90AA1MAPT
SCHEMBL10039090 0.76 HSP90AA1 (0.38) PTGS2PTGS1ALOX5HSP90AA1TSHR
SCHEMBL3529911 0.75 HSP90AA1 (0.38) PTGS2ALOX5HSP90AA1TSHRCYP1A2
SCHEMBL3532736 0.74 HSP90AA1 (0.34) HSP90AA1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL29708 0.74 NPC1 (0.49) PTGS2ALOX5HSP90AA1TSHRCYP1A2
SCHEMBL29350736 0.74 NPC1 (0.49) PTGS2ALOX5HSP90AA1TSHRCYP1A2
SCHEMBL11079994 0.74 NPC1 (0.38) PTGS2PTGS1ALOX5HSP90AA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 US disclosed
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 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-20060083945-A1 New luminescent compositions and their uses OCIAD1, NLRP3, OCIAD2 PTGS2 3870/4885PTGS1 3333/4885ALOX5 845/4885

“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.