SCHEMBL3783765

SCHEMBL3783765

CCCOc1ccc(B(O)O)c(OCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 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
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 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
SCHEMBL29955341 1.00 LTA4H (0.44) LTA4HKMT2AMEN1CA12CA1
SCHEMBL3790716 0.93 LTA4H (0.44) LTA4HKMT2AMEN1CA12CA1
SCHEMBL29650460 0.93 LTA4H (0.44) LTA4HKMT2AMEN1CA12CA1
SCHEMBL20681281 0.88 NR5A1 (0.53) LTA4HRAB9AMAPTLMNATP53
SCHEMBL3787854 0.86 LTA4H (0.44) LTA4HKMT2AMEN1CA12CA1
SCHEMBL29923103 0.83 INPPL1 (0.36) L3MBTL1KDM4ERAB9AMAPT
SCHEMBL4048727 0.82 PTGS1 (0.46) LTA4HKMT2AMEN1CA12CA1
SCHEMBL29956792 0.82 PTGS1 (0.46) LTA4HKMT2AMEN1CA12CA1
SCHEMBL3793494 0.81 KDM4E (0.53) LTA4HKMT2AMEN1KDM4EALDH1A1
SCHEMBL29952558 0.81 KDM4E (0.53) LTA4HKMT2AMEN1KDM4EALDH1A1

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-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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0613476-A1 3-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-09-07 EP disclosed
WO-1993010114-A1 3-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 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 (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-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 LTA4H 1649/4885KMT2A 4328/4885MEN1 4590/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 LTA4H 2263/4885KMT2A 1474/4885MEN1 174/4885

“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.