SCHEMBL1620328

SCHEMBL1620328

COc1cc(C=O)cc(C(C)O[Si](C(C)C)(C(C)C)C(C)C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.36
TRIM24 O15164 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FDPS P14324 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2698284 0.79 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1HPGDTRIM24
SCHEMBL1620294 0.78 ALOX15 (0.37) MEN1MAPTKMT2ATUBB4ATUBB
SCHEMBL16619850 0.74 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1HPGDTRIM24
SCHEMBL96635 0.74 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1HPGDTRIM24
SCHEMBL1620818 0.73 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1HPGDTRIM24
SCHEMBL1618895 0.72 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HPGDTRIM24
Hydrochloric Acid SCHEMBL23711567 0.72 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1HPGDTRIM24
SCHEMBL9135687 0.72 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1HPGDTRIM24
SCHEMBL7842504 0.70 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1HPGDTRIM24
SCHEMBL7842122 0.70 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1HPGDTRIM24

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 15 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-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-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-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-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
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
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 ALDH1A1 701/4885TSHR 133/4885MAPK1 695/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALDH1A1 905/4885TSHR 152/4885MAPK1 749/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885TSHR 104/4885MAPK1 751/4885

“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.