SCHEMBL1620797

SCHEMBL1620797

CCOc1c(C(C)(C)C)ccc(C=O)c1O[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
TLR4 O00206 1/20 0.30

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
SCHEMBL1620557 0.84 CA1 (0.39) ALDH1A1
SCHEMBL8907794 0.83 CYSLTR2 (0.31)
SCHEMBL5383978 0.81 CA1 (0.39) ALDH1A1
SCHEMBL1010833 0.77 CA2 (0.41) ALDH1A1LMNA
SCHEMBL7281736 0.75 HTT (0.31)
SCHEMBL3798221 0.74 ALDH1A1 (0.47) ALDH1A1GAALMNATLR4
SCHEMBL7539413 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7281044 0.69 HSP90AA1 (0.42) ALDH1A1LMNA
SCHEMBL8766895 0.69
SCHEMBL6902430 0.69 ERN1 (0.32)

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 13 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
EP-1482953-A4 ALPHA-SUBSTITUTED HETEROARYLALKYL PHOSPHONATE DERIVATTIVES ILEX PRODUCTS INC (US) 2006-12-13 EP disclosed
US-20050124581-A1 Alpha-substituted heteroarylalkyl phosphonate derivatives PHAN HIEU T (CH) 2005-06-09 US disclosed
EP-1482953-A1 ALPHA-SUBSTITUTED HETEROARYLALKYL PHOSPHONATE DERIVATTIVES Ilex Products, Inc. (US) 2004-12-08 EP disclosed
WO-2003068240-A1 ALPHA-SUBSTITUTED HETEROARYLALKYL PHOSPHONATE DERIVATTIVES ILEX PRODUCTS, INC. (US) 2003-08-21 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 (4 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 701/4885GAA 4240/4885LMNA 2146/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALDH1A1 905/4885GAA 4263/4885LMNA 1872/4885
US-20050124581-A1 Alpha-substituted heteroarylalkyl phosphonate derivatives APOB, APOL1, LDLR ALDH1A1 2919/4885GAA 682/4885LMNA 276/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885GAA 3903/4885LMNA 1245/4885

“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.