SCHEMBL13485628

SCHEMBL13485628

C[Si](C)(C)O[Si](C)(CCCOC(=O)/C(C#N)=C/C=C/N1CCN(/C=C/C=C(\C#N)C(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CC1)O[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.34
▸ ALDH1A1 P00352 8/20 0.33
▸ DNM1 Q05193 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAPT P10636 5/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MEN1 O00255 5/20 0.31
▸ KMT2A Q03164 5/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ APP P05067 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL13485627 0.81 CYP2C9 (0.38) MAOBALDH1A1DNM1GAAMAPT
SCHEMBL12526176 0.80 DNM1 (0.39) MAOBALDH1A1DNM1GAARECQL
SCHEMBL23177612 0.76 ALDH1A1 (0.42) ALDH1A1DNM1GAAMAPTTP53
SCHEMBL4851098 0.76 DNM1 (0.37) MAOBALDH1A1DNM1MAPTTP53
SCHEMBL14018852 0.76 DNM1 (0.37) MAOBALDH1A1DNM1MAPTTP53
SCHEMBL4851091 0.76 DNM1 (0.37) MAOBALDH1A1DNM1MAPTTP53
SCHEMBL12260843 0.75 MAPT (0.42) ALDH1A1DNM1GAAMAPTTP53
SCHEMBL9889261 0.75 MAPT (0.42) ALDH1A1DNM1GAAMAPTTP53
SCHEMBL12292355 0.75 MAPT (0.42) ALDH1A1DNM1GAAMAPTTP53
SCHEMBL12758234 0.75 ALDH1A1 (0.48) ALDH1A1DNM1GAARECQLMAPT

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-9068080-B2 Merocyanine derivatives BASF SE (DE) 2015-06-30 — — US disclosed
US-9068080-B2 Merocyanine derivatives BASF SE (DE) 2015-06-30 — — US disclosed
US-20100035839-A1 MEROCYANINE DERIVATIVES CIBA CORPORATION (US) 2010-02-11 — — 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 (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-20100035839-A1 MEROCYANINE DERIVATIVES C1R, MC5R, C2CD5 MAOB 3121/4885ALDH1A1 1702/4885DNM1 4600/4885

“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.

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