SCHEMBL2763850

SCHEMBL2763850

O=CN1CCc2ccc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPRT1 P00492 1/20 0.33

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
SCHEMBL1408791 0.74 ALDH1A1 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL1408982 0.71 KDM4E (0.45) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL3557149 0.71 ALDH1A1 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL17988784 0.70 MEN1 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL1408377 0.70 MAPT (0.37) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL2460600 0.70 ALDH1A1 (0.37) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL31614360 0.70 ALDH1A1 (0.41) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL12776571 0.69 CYP2A6 (0.42) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL149071 0.69 FDPS (0.42) ALDH1A1HSD17B10TDP1SMN1; SMN2KDM4E
SCHEMBL4822359 0.68 SLC6A2 (0.32) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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 ALDH1A1 2097/4885CYP2A6 2061/4885TSHR 3761/4885

“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.