SCHEMBL3529911

SCHEMBL3529911

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
IGF1R P08069 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
CA2 P00918 2/20 0.33
HIF1A Q16665 2/20 0.33
CA1 P00915 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
ALOX5 P09917 2/20 0.32
PTGS2 P35354 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 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
SCHEMBL10039090 0.84 HSP90AA1 (0.38) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3538222 0.84 HSP90AA1 (0.38) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3532469 0.83 HSP90AA1 (0.34) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3538164 0.81 PTGS2 (0.31) PTGS2
SCHEMBL14594270 0.80 ALDH1A1 (0.37) CYP3A4TSHRHIF1AALDH1A1HPGD
SCHEMBL5834099 0.80 NPC1 (0.38) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3534777 0.80 CYP2C19 (0.36) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL11079994 0.80 NPC1 (0.38) HSP90AA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5805331 0.79 ALDH1A1 (0.44) HSP90AA1CYP1A2CYP2C19TSHRCYP2D6
SCHEMBL5805327 0.79 CA2 (0.47) TSHRIGF1RCISD1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 WO claimed
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 US claimed
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-20070003783-A1 Quinoline copolymer and organic electroluminescent device employing same HITACHI CHEMICAL CO LTD (JP) 2007-01-04 US disclosed
US-20070003783-A1 Quinoline copolymer and organic electroluminescent device employing same HITACHI CHEMICAL CO LTD (JP) 2007-01-04 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 HSP90AA1 4435/4885CYP1A2 4297/4885CYP2C9 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.