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Sugi Predict / Compounds / SCHEMBL2184946

SCHEMBL2184946

SCHEMBL2184946

CC(C)(C)c1cc2c(OCC(=O)O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 5/20 1.00
▸ ELANE P08246 1/20 1.00
▸ TLR4 O00206 3/20 0.54
▸ CD14 P08571 3/20 0.54
▸ LY96 Q9Y6Y9 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CYP2C19 P33261 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ RXRG P48443 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2217463 1.00 CD69 (1.00) CD69ELANETLR4CD14LY96
SCHEMBL29299544 0.93 CD69 (0.86) CD69ELANETLR4CD14LY96
SCHEMBL16545626 0.91 CD69 (0.83) CD69ELANETLR4CD14LY96
SCHEMBL38660826 0.89 CD69 (0.79) CD69ELANETLR4CD14LY96
SCHEMBL16545624 0.87 CD69 (0.75) CD69ELANETLR4CD14LY96
SCHEMBL25936745 0.85 CD69 (0.73) CD69ELANETLR4CD14LY96
SCHEMBL30279470 0.84 CD69 (0.72) CD69ELANETLR4CD14LY96
SCHEMBL28137526 0.84 CD69 (0.72) CD69ELANETLR4CD14LY96
SCHEMBL23631852 0.83 CD69 (0.70) CD69ELANETLR4CD14LY96
SCHEMBL20994043 0.81 CD69 (0.68) CD69ELANETLR4CD14LY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069919-B1 STIMULUS SENSITIVE GEL COMPRISING A RADIOISOTOPE AND METHODS OF MAKING SUCH GEL BATTELLE MEMORIAL INSTITUTE (US) 2005-06-08 — — EP claimed
US-6296831-B1 BIODEGRADATION; IN CANCER TUMOR THERAPY BATTELLE MEMORIAL INSTITUTE 2001-10-02 — — US claimed
US-20010024636-A1 Stimulus sensitive gel with radioisotope and methods of making BATTELLE MEMORIAL INSTITUTE 2001-09-27 — — US claimed
EP-1069919-A2 STIMULUS SENSITIVE GEL WITH RADIOISOTOPE AND METHODS OF MAKING BATTELLE MEMORIAL INSTITUTE (US) 2001-01-24 — — EP claimed
WO-1999055386-A2 STIMULUS SENSITIVE GEL WITH RADIOISOTOPE AND METHODS OF MAKING BATTELLE MEMORIAL INSTITUTE (US) 1999-11-04 — — WO claimed
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 — — US disclosed
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITÉ PARIS CITÉ (FR) 2015-03-05 — — US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 — — US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 — — US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 — — US disclosed
EP-2341944-A2 CONJUGATES OF HEXOSE AND METAL COORDINATING COMPOUNDS FOR IMAGING PURPOSES Mallinckrodt Inc. (US) 2011-07-13 — — EP disclosed
WO-2010039609-A2 A VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT INC. (US) 2010-04-08 — — WO disclosed
EP-1069919-B1 STIMULUS SENSITIVE GEL COMPRISING A RADIOISOTOPE AND METHODS OF MAKING SUCH GEL BATTELLE MEMORIAL INSTITUTE (US) 2005-06-08 — — EP disclosed
US-6869588-B2 Stimulus sensitive gel with radioisotope and methods of making BATTELLE MEMORIAL INSTITUTE (US) 2005-03-22 — — US disclosed
US-20040228794-A1 Therapeutic agent carrier compositions BATTELLE MEMORIAL INSTITUTE 2004-11-18 — — US disclosed
US-20020131935-A1 Fibrin carrier compound for treatment of disease BATTELLE MEMORIAL INSTITUTE 2002-09-19 — — US disclosed
US-6296831-B1 BIODEGRADATION; IN CANCER TUMOR THERAPY BATTELLE MEMORIAL INSTITUTE 2001-10-02 — — US disclosed
US-20010024636-A1 Stimulus sensitive gel with radioisotope and methods of making BATTELLE MEMORIAL INSTITUTE 2001-09-27 — — US disclosed
EP-1069919-A2 STIMULUS SENSITIVE GEL WITH RADIOISOTOPE AND METHODS OF MAKING BATTELLE MEMORIAL INSTITUTE (US) 2001-01-24 — — EP disclosed
WO-1999055386-A2 STIMULUS SENSITIVE GEL WITH RADIOISOTOPE AND METHODS OF MAKING BATTELLE MEMORIAL INSTITUTE (US) 1999-11-04 — — 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 (3 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-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 CD69 1301/4885ELANE 2572/4885TLR4 1480/4885
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR CD69 672/4885ELANE 311/4885TLR4 2284/4885
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY SLC2A1, SLC2A4, SLC2A3 CD69 1301/4885ELANE 2572/4885TLR4 1480/4885

“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.