SCHEMBL1856899

SCHEMBL1856899

CC(C)(C)[Si](OCC1CC=CCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
SMYD2 Q9NRG4 2/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP3A4 P08684 1/20 0.34
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 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
SCHEMBL10236926 0.90 SMYD2 (0.39) HTTSMN1; SMN2SMYD2CYP3A4
SCHEMBL30468463 0.86 SMYD2 (0.41) HTTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL2914349 0.84 RIPK1 (0.41) HTTSMN1; SMN2SMYD2CYP3A4
SCHEMBL16746031 0.82 SMYD2 (0.36) HTTSMN1; SMN2SMYD2CYP3A4
SCHEMBL16746036 0.82 SMYD2 (0.36) HTTSMN1; SMN2SMYD2CYP3A4
SCHEMBL17601900 0.81 KDM4E (0.40) HTTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL19285623 0.81 SMYD2 (0.39) HTTSMN1; SMN2SMYD2CYP3A4
SCHEMBL10380887 0.81 SMYD2 (0.39) HTTSMN1; SMN2SMYD2CYP3A4
SCHEMBL15921674 0.78 SMN1; SMN2 (0.48) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL31048392 0.77 SMYD2 (0.34) HTTSMN1; SMN2SMYD2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 HTT 1467/4885LMNA 814/4885KDM4E 740/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 HTT 1467/4885LMNA 814/4885KDM4E 740/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 HTT 1833/4885LMNA 868/4885KDM4E 645/4885

“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.