SCHEMBL1620100

SCHEMBL1620100

COc1cc(Br)cc(CCO)c1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
ERN1 O75460 1/20 0.35
GAA P10253 3/20 0.34
HTR2A P28223 1/20 0.32
CYP1A2 P05177 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13731114 0.82 MAPT (0.34)
SCHEMBL1620237 0.81 CYP3A4 (0.40) ALOX15ALOX12CYP1A2POLBALDH1A1
SCHEMBL1620372 0.75 ALOX15 (0.36) ALOX15ALOX12GAAHTR2ACYP1A2
SCHEMBL5205295 0.73 CYP1A2 (0.42) ALOX15ALOX12ERN1GAAHTR2A
SCHEMBL1621332 0.72 GAA (0.54) ALOX15ALOX12ERN1GAAALDH1A1
SCHEMBL5549042 0.69 ALOX15 (0.47) ALOX15ALOX12ERN1GAACYP1A2
SCHEMBL31500453 0.68 MAPT (0.35) ERN1GAAHTR2ACYP1A2ALDH1A1
SCHEMBL26927319 0.68 MAPT (0.35) ERN1GAAHTR2ACYP1A2ALDH1A1
SCHEMBL8159871 0.68 ERN1 (0.45) ALOX15ALOX12ERN1GAAHTR2A
SCHEMBL29937640 0.67 PYCR1 (0.49) ALOX15ERN1GAAHTR2AALDH1A1

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
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 ALOX15 4635/4885ALOX12 4602/4885ERN1 1354/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALOX15 4625/4885ALOX12 4640/4885ERN1 1512/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALOX15 2986/4885ALOX12 3190/4885ERN1 1107/4885

“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.