SCHEMBL15560234

SCHEMBL15560234

CC(=O)Oc1cc2cccc(OC(C)=O)c(=O)c2c(O)c1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.79
▸ ALDH1A1 P00352 4/20 0.79
▸ KMT2A Q03164 4/20 0.79
▸ GAA P10253 3/20 0.79
▸ L3MBTL1 Q9Y468 3/20 0.79
▸ KDM4E B2RXH2 3/20 0.79
▸ APEX1 P27695 3/20 0.79
▸ RECQL P46063 3/20 0.79
▸ BLM P54132 3/20 0.79
▸ TDP1 Q9NUW8 3/20 0.79
▸ POLB P06746 2/20 0.79
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ TOP1 P11387 3/20 0.42
▸ ADORA2A P29274 3/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ HPGD P15428 2/20 0.40

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
SCHEMBL12171193 0.90 MAPT (0.68) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL17069803 0.89 MAPT (0.63) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL12171250 0.88 MAPT (1.00) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL15887547 0.84 MAPT (0.63) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL12171206 0.82 MAPT (0.87) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL14370739 0.80 MAPT (0.79) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL15555870 0.78 MAPT (0.59) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL14370772 0.78 MAPT (0.63) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL17069804 0.77 MAPT (0.79) MAPTALDH1A1KMT2AGAAL3MBTL1
Triacetoxyanthrene SCHEMBL9119527 0.77 ALDH1A1 (0.65) MAPTALDH1A1KMT2AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 — — US disclosed
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 — — US disclosed
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 — — US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 — — US disclosed
EP-2879669-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX The Regents of The University of Colorado, A Body Corporate (US) 2015-06-10 — — EP disclosed
WO-2014022287-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-06 — — WO disclosed
WO-2014022287-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-06 — — 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-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX TLR2, TLR1, TLR3 MAPT 2900/4885ALDH1A1 4195/4885KMT2A 2587/4885

“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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