SCHEMBL6860722

SCHEMBL6860722

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ CYP2C19 P33261 6/20 0.51
▸ CYP2C9 P11712 5/20 0.51
▸ EPHX1 P07099 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ CYP3A4 P08684 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 1/20 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
▸ CYP2D6 P10635 2/20 0.35
▸ HIF1A Q16665 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
SCHEMBL3350751 1.00 TSHR (0.54) TSHRCYP2C19CYP2C9EPHX1THRB
SCHEMBL3350757 0.89 TSHR (0.54) TSHRCYP2C19CYP2C9EPHX1ALDH1A1
SCHEMBL6860725 0.89 TSHR (0.54) TSHRCYP2C19CYP2C9EPHX1ALDH1A1
SCHEMBL5956359 0.86 TSHR (0.71) TSHRCYP2C19CYP2C9EPHX1THRB
SCHEMBL29010564 0.83 TSHR (0.52) TSHRCYP2C19CYP2C9EPHX1ALDH1A1
SCHEMBL29010567 0.83 TSHR (0.52) TSHRCYP2C19CYP2C9EPHX1THRB
SCHEMBL8943453 0.82 TSHR (0.48) TSHRCYP2C19CYP2C9EPHX1THRB
SCHEMBL6534627 0.80 TSHR (0.53) TSHRCYP2C19CYP2C9EPHX1ALDH1A1
SCHEMBL29010566 0.80 TSHR (0.51) TSHRCYP2C19CYP2C9EPHX1ALDH1A1
SCHEMBL27924060 0.80 TSHR (0.53) TSHRCYP2C19CYP2C9EPHX1ALDH1A1

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 3053/4885CYP2C19 674/4885CYP2C9 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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