SCHEMBL2096899

SCHEMBL2096899

CN1c2ccccc2Cc2ccc(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 15/20 0.54
DRD2 P14416 14/20 0.54
DRD5 P21918 12/20 0.54
DRD3 P35462 11/20 0.54
DRD4 P21917 10/20 0.54
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
HTR2A P28223 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12723261 0.83 MAOA (0.45) DRD1DRD2DRD5DRD3DRD4
SCHEMBL975897 0.82 MAOA (0.52) DRD1DRD2DRD5DRD3DRD4
SCHEMBL29351597 0.82 MAOA (0.52) DRD1DRD2DRD5DRD3DRD4
SCHEMBL3431659 0.81 DRD1 (0.44) DRD1DRD2DRD5DRD3DRD4
Iodide SCHEMBL11862710 0.80 MAOA (0.50) DRD1DRD2DRD5DRD3DRD4
SCHEMBL29735917 0.80 MAOA (0.50) DRD1DRD2DRD5DRD3DRD4
Bromide SCHEMBL27751559 0.80 MAOA (0.50) DRD1DRD2DRD5DRD3DRD4
SCHEMBL14457625 0.80 DRD3 (0.42) DRD1DRD2DRD5DRD3DRD4
SCHEMBL12841616 0.80 HTR2A (0.45) DRD1DRD2DRD5DRD3DRD4
SCHEMBL13445185 0.79 DRD3 (0.39) DRD1DRD2DRD5DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163910-B2 Amide-substituted xanthene dyes ELITECH HOLDING B.V. (NL) 2012-04-24 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 US disclosed
WO-2009046165-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 WO disclosed
EP-1991552-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2006-09-07 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 (3 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-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 DRD1 4050/4885DRD2 4108/4885DRD5 2128/4885
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 DRD1 4050/4885DRD2 4108/4885DRD5 2128/4885
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 DRD1 4268/4885DRD2 4585/4885DRD5 3357/4885

“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.