SCHEMBL3531366

SCHEMBL3531366

CC(C)(C)c1cc(-n2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
SNCA P37840 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL3535118 0.81 PTGS2 (0.40) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3529911 0.79 HSP90AA1 (0.38) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3532986 0.77 CYP1A2 (0.41) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL10039090 0.75 HSP90AA1 (0.38) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3532736 0.74 HSP90AA1 (0.34) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3538222 0.72 HSP90AA1 (0.38) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL13368157 0.72 ALOX5 (0.33) PTGS1PTGS2
SCHEMBL3532469 0.71 HSP90AA1 (0.34) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5834099 0.71 NPC1 (0.38) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL11079994 0.71 NPC1 (0.38) HSP90AA1CYP1A2CYP3A4CYP2C9TSHR

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
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 HSP90AA1 4435/4885SNCA 2388/4885CYP1A2 4297/4885

“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.