SCHEMBL4048727

SCHEMBL4048727

CCCOc1ccc(B(O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
LTA4H P09960 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PLK1 P53350 1/20 0.40
MAPT P10636 1/20 0.40
PDIA6 Q15084 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
SCHEMBL29956792 1.00 PTGS1 (0.46) PTGS1PTGS2LTA4HKMT2AMEN1
SCHEMBL29954557 0.93 THRA (0.45) LTA4HKMT2AMEN1CA12CA1
SCHEMBL539019 0.93 THRA (0.45) LTA4HKMT2AMEN1CA12CA1
SCHEMBL29952345 0.85 NQO1 (0.48) LTA4HKMT2AMEN1MAPTALDH1A1
SCHEMBL3316169 0.85 NQO1 (0.48) LTA4HKMT2AMEN1MAPTALDH1A1
SCHEMBL9946013 0.83 THRA (0.43) LTA4HKMT2AMEN1CA12CA1
SCHEMBL3783765 0.82 LTA4H (0.44) PTGS1PTGS2LTA4HKMT2AMEN1
SCHEMBL29955341 0.82 LTA4H (0.44) PTGS1PTGS2LTA4HKMT2AMEN1
SCHEMBL5047709 0.81 MAPT (0.53) PTGS1PTGS2LTA4HKMT2AMEN1
SCHEMBL29953890 0.81 LTA4H (0.43) PTGS1PTGS2LTA4HKMT2AMEN1

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-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 US disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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 (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-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 PTGS1 279/4885PTGS2 360/4885LTA4H 679/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 PTGS1 614/4885PTGS2 307/4885LTA4H 1649/4885
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 PTGS1 2017/4885PTGS2 3077/4885LTA4H 2734/4885

“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.