SCHEMBL5654077

SCHEMBL5654077

C1=CC2=Cc3ccccc3CC2=CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
TRPA1 O75762 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
IP6K1 Q92551 1/20 0.31
IP6K3 Q96PC2 1/20 0.31
ACHE P22303 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
SCHEMBL6376514 0.84 CYP11B1 (0.41) PTGS2CYP11B2CYP11B1CA1CA2
SCHEMBL11782456 0.77 BCHE (0.30) ACHE
SCHEMBL395757 0.74 CYP11B2 (0.41) PTGS2CYP11B2CYP11B1TRPA1CA1
SCHEMBL29463838 0.74 CYP11B2 (0.41) PTGS2CYP11B2CYP11B1TRPA1CA1
SCHEMBL30835519 0.73 PTGS2 (0.40) PTGS2CYP11B2CYP11B1TRPA1CA1
SCHEMBL7205941 0.71 PTGS2 (0.57) PTGS2CYP11B2CYP11B1TRPA1MAOA
SCHEMBL30664496 0.71 PTGS2 (0.57) PTGS2CYP11B2CYP11B1TRPA1MAOA
SCHEMBL14663400 0.68 PTGS2 (0.46) PTGS2CYP11B2CYP11B1TRPA1MAOA
SCHEMBL3368925 0.67
SCHEMBL17673043 0.67 CYP11B2 (0.41) PTGS2CYP11B2CYP11B1TRPA1MAOA

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-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS MILLIPORE CORPORATION 2006-11-16 US disclosed
US-7091348-B2 Fluorescent dyes, energy transfer couples and methods GUAVA TECHNOLOGIES, INC. (US) 2006-08-15 US disclosed
EP-1539728-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS Guava Technologies, Inc. (US) 2005-06-15 EP disclosed
US-20040073014-A1 Fluorescent dyes, energy transfer couples and methods EMD MILLIPORE CORPORATION 2004-04-15 US disclosed
WO-2004003510-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS GUAVA TECHNOLOGIES, INC. (US) 2004-01-08 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-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS TIMM50, TIMM44, APEX1 PTGS2 4031/4885CYP11B2 908/4885CYP11B1 515/4885

“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.