SCHEMBL2763409

SCHEMBL2763409

Nc1cc(O)cc2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
MPI P34949 1/20 0.41
GAA P10253 3/20 0.40
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HBB P68871 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPRT1 P00492 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL688806 0.83 NQO2 (0.61) NQO2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL14742908 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL2515510 0.78 NQO2 (0.68) NQO2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL28513210 0.77 NQO2 (0.65) NQO2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL30376894 0.77 NQO2 (0.65) NQO2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL3169959 0.77 NQO2 (0.65) NQO2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL11058854 0.75 NQO2 (0.47) NQO2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL11053220 0.75 NQO2 (0.47) NQO2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL11213754 0.75 CYP2A6 (0.46) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL28876856 0.75 IDO1 (0.42) CYP1A2ALDH1A1KDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221347-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-08-25 EP disclosed
EP-2179996-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-04-28 EP disclosed
US-7018431-B2 Sulfonated diarylrhodamine dyes APPLERA CORPORATION (US) 2006-03-28 US disclosed
US-20040096397-A1 Sulfonated diarylrhodamine dyes APPLERA CORPORATION (US) 2004-05-20 US disclosed
EP-1339798-A2 SULFONATED DIARYLRHODAMINE DYES Applera Corporation (US) 2003-09-03 EP disclosed
US-6583168-B1 Fluorescent labels of nucleosides, nucleotides, polynucleotides, and polypeptides in nucleic acid analysis APPLERA CORPORATION 2003-06-24 US disclosed
WO-2002044416-A2 SULFONATED DIARYLRHODAMINE DYES AS FLUORESCENT LABELS APPLERA CORPORATION (US) 2002-06-06 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-20040096397-A1 Sulfonated diarylrhodamine dyes POLL, DUT, DPYD NQO2 164/4885CYP1A2 3635/4885ALDH1A1 2097/4885

“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.