SCHEMBL6860725

SCHEMBL6860725

O=C(O)OC[C@@H]1O[C@H]1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ EPHX1 P07099 4/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.37
▸ SLC5A2 P31639 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ FABP7 O15540 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL3350757 1.00 TSHR (0.54) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL3350751 0.89 TSHR (0.54) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL6860722 0.89 TSHR (0.54) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL5956359 0.86 TSHR (0.71) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL29010567 0.83 TSHR (0.52) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL29010564 0.83 TSHR (0.52) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL8943453 0.82 TSHR (0.48) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL6534627 0.80 TSHR (0.53) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL27924060 0.80 TSHR (0.53) TSHREPHX1CYP2C9CYP2C19ALDH1A1
SCHEMBL29010566 0.80 TSHR (0.51) TSHREPHX1CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794158-B2 FLUORESCENT PROBE FOR USE AS DIAGNOSTIC TOOL IN MONITORING PREFERENTIAL ENZYME ACTIVITY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-21 — — US disclosed
US-20030082665-A1 Fluorescence polarization assay BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-05-01 — — US disclosed
WO-2002082082-A2 FLUORESCENCE POLARIZATION ASSAY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-17 — — WO disclosed
WO-2000023060-A2 METHOD OF TREATING IMMUNOLOGICAL DISORDERS MEDIATED BY T-LYMPHOCYTES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-27 — — 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-20030082665-A1 Fluorescence polarization assay EPHX1, EPHX2, LTA4H TSHR 3053/4885EPHX1 1/4885CYP2C9 609/4885

“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.

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