SCHEMBL1620372

SCHEMBL1620372

COc1cc(Br)cc(CO[Si](C(C)C)(C(C)C)C(C)C)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA6 P23280 3/20 0.35
CYP3A4 P08684 2/20 0.34
MAPT P10636 1/20 0.34
HTR2A P28223 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33

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
SCHEMBL1620818 0.78 ALDH1A1 (0.44) CYP3A4MAPTCYP2C9CYP1A2TUBB4A
SCHEMBL3212159 0.77 ALOX15 (0.44) ALOX15ALOX12CA1CA2CA4
SCHEMBL1620237 0.75 CYP3A4 (0.40) ALOX15ALOX12CYP3A4MAPTCYP2C9
SCHEMBL1620100 0.75 ALOX15 (0.37) ALOX15ALOX12HTR2AGAACYP1A2
SCHEMBL14154475 0.73 PTGS2 (0.50) ALOX15ALOX12CA1CA2CA4
SCHEMBL5304107 0.73 HTR2A (0.57) CYP3A4HTR2ACYP1A2
SCHEMBL5304110 0.73 HTR2A (0.57) CYP3A4HTR2ACYP1A2
SCHEMBL2130516 0.72 KDM4E (0.38)
SCHEMBL6719608 0.72 ALOX15 (0.43) ALOX15ALOX12CA1CA2CA4
SCHEMBL5549042 0.72 ALOX15 (0.47) ALOX15ALOX12CA1CA2CA4

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 4602/4885CA1 1814/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALOX15 4625/4885ALOX12 4640/4885CA1 1864/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALOX15 2986/4885ALOX12 3190/4885CA1 3164/4885

“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.