SCHEMBL3532986

SCHEMBL3532986

CC(C)(C)c1cc(-n2nc3c(-c4ccccc4)ccc(-c4ccccc4)c3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSP90AA1 P07900 1/20 0.37
ALOX5 P09917 2/20 0.36
PTGS2 P35354 2/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN1 P18031 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL28896700 0.89 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3532736 0.85 HSP90AA1 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29350736 0.81 NPC1 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29708 0.81 NPC1 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3535118 0.81 PTGS2 (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL22606176 0.80 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10039090 0.80 HSP90AA1 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3529911 0.79 HSP90AA1 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11079994 0.78 NPC1 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3531366 0.77 HSP90AA1 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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-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-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 WO disclosed
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 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-20060083945-A1 New luminescent compositions and their uses OCIAD1, NLRP3, OCIAD2 CYP1A2 4297/4885CYP3A4 1527/4885CYP2C9 3634/4885

“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.