SCHEMBL6858142

SCHEMBL6858142

O=C(CO)O[C@@H]1CCCC[C@H]1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 6/20 0.58
▸ FABP7 O15540 4/20 0.58
▸ FABP3 P05413 3/20 0.58
▸ SLC18A3 Q16572 4/20 0.45
▸ KCNQ3 O43525 2/20 0.43
▸ KCNQ2 O43526 2/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 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
SCHEMBL9370830 1.00 FABP5 (0.58) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL27688008 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL28635740 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL7433049 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL28644515 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL7433046 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL7433044 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL28635739 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL25369789 0.83 FABP5 (0.64) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL21825849 0.83 FABP5 (0.64) FABP5FABP7FABP3SLC18A3KCNQ3

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-6835746-B2 For therapy of cancer THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2004-12-28 — — US disclosed
US-20030232878-A1 Taxoid anti-tumor agents and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2003-12-18 — — US disclosed
US-6500858-B2 FOR THERAPY OF CANCER THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK 2002-12-31 — — US disclosed
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 — — EP disclosed
US-6458976-B1 TAXANE ANTICARCINOGENIC AGENTS AND ANTITUMOR AGENTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-10-01 — — US disclosed
US-20020022651-A1 Taxoid anti-tumor agents and pharmaceutical compositions thereof SYNPLICITY, INC. 2002-02-21 — — US disclosed
US-6100411-A HIGH ACTIVITIES AGAINST DRUG-RESISTANT TUMORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-08-08 — — US disclosed
US-6096909-A Taxoid anti-tumor agents and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-08-01 — — US disclosed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 — — US disclosed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 — — 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 (2 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-20030232878-A1 Taxoid anti-tumor agents and pharmaceutical compositions thereof TP53, HPGDS, TUBB1 FABP5 2182/4885FABP7 4058/4885FABP3 3785/4885
US-20020022651-A1 Taxoid anti-tumor agents and pharmaceutical compositions thereof TP53, HPGDS, TUBB1 FABP5 2182/4885FABP7 4058/4885FABP3 3785/4885

“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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