SCHEMBL5468565

SCHEMBL5468565

O=C(O)c1c[c]cc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 2/20 0.48
SELP P16109 2/20 0.48
ALDH1A1 P00352 7/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA12 O43570 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HMGB1 P09429 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL6198273 0.87 SELL (0.42) SELLSELPALDH1A1CA1CA2
SCHEMBL6634697 0.79 CA1 (0.39) SELLSELPALDH1A1CA1CA2
SCHEMBL27556194 0.77 CASP7 (0.50) SELLSELPALDH1A1CA1CA2
SCHEMBL6199994 0.77 ALDH1A1 (0.36) SELLSELPALDH1A1CA1CA2
SCHEMBL6202360 0.77 MMP2 (0.50) SELLSELPALDH1A1KDM4EHPGD
SCHEMBL27525268 0.77 TP53 (0.36) SELLSELPALDH1A1CA1CA2
SCHEMBL6197026 0.77 AKR1C3 (0.50) SELLSELPALDH1A1CA1CA2
SCHEMBL5468861 0.77 KDM4E (0.50) SELLSELPALDH1A1CYP1A2KDM4E
SCHEMBL6199605 0.77 AKR1C2 (0.50) SELLSELPALDH1A1CA1CA2
SCHEMBL7491909 0.74 ALDH1A1 (0.34) SELLSELPALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed
US-6011037-A Thiazole derivatives with phosphodiesterase-inhibiting action BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-01-04 US disclosed
EP-0920426-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-06-09 EP disclosed
WO-1998008841-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
WO-1998008830-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 SELL 385/4885SELP 73/4885ALDH1A1 1861/4885

“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.