SCHEMBL4379936

SCHEMBL4379936

CCCCCC[Si](O)(CCCCCC)c1ccc(-c2ccc([Si](O)(CCCCCC)CCCCCC)cn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 2/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HTT P42858 1/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 2/20 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
SCHEMBL4386708 0.90 CYP1A2 (0.41)
SCHEMBL272469 0.75 AR (0.46) SMN1; SMN2KDM4EALDH1A1HTTKCNH2
SCHEMBL11780094 0.74 NAAA (0.43) ALDH1A1HTTKCNH2
SCHEMBL6972295 0.74 NAAA (0.43) ALDH1A1HTTKCNH2
SCHEMBL6965430 0.72 NAAA (0.41) ALDH1A1HPGDHTTKCNH2
SCHEMBL4383071 0.71 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL1046569 0.67 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL3482551 0.66 PCSK9 (0.39) ALDH1A1HTTARNR1H2NR1H3
SCHEMBL272415 0.66 ESR1 (0.42) ARNR1H2NR1H3
SCHEMBL9081648 0.66 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084608-B2 2,2′ -bipyridine derivative having a reactive silyl group, its production method, and transition metal complex SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-03 US disclosed
EP-2128165-A1 2, 2´-bipyridine derivatives having reactive silyl group, production methods, transition metal complexes thereof Shin-Etsu Chemical Co., Ltd. (JP) 2009-12-02 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 (1 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-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX CBR3, TST, HRH3 RAB9A 2346/4885NPC1 1938/4885SMN1; SMN2 4307/4885

“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.