SCHEMBL17637038

SCHEMBL17637038

CCCCN(CCCC)CC(COc1ccc(C(C)(C)c2ccc(OCC(COc3ccc(C(C)(C)c4ccc(OCC(COc5ccc(C(C)(C)c6ccc(OCC(CN(CCCC)CCCC)OC(=O)NCCC[Si](OC)(OC)OC)cc6)cc5)OC(=O)Nc5ccccc5)cc4)cc3)OC(=O)Nc3ccccc3)cc2)cc1)OC(=O)NCCC[Si](OC)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 7/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ AR P10275 1/20 0.35

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
SCHEMBL17637042 0.85 NPSR1 (0.55) POLBNPSR1KDM4EALDH1A1TDP1
SCHEMBL14537561 0.76 LMNA (0.51) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL10014726 0.74 KMT2A (0.54) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL11508035 0.69 LMNA (0.55) ALDH1A1CYP19A1GAALMNASMN1; SMN2
SCHEMBL10014727 0.69 MEN1 (0.50) KDM4EALDH1A1TDP1GAALMNA
SCHEMBL17637037 0.69 KMT2A (0.61) NPSR1KDM4EALDH1A1TDP1CYP19A1
SCHEMBL16489892 0.68 HPGD (0.55) ALDH1A1MEN1KMT2AAR
SCHEMBL17345248 0.67 HPGD (0.46) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL18120597 0.67 KDM4E (0.71) POLBNPSR1KDM4EALDH1A1TDP1
SCHEMBL27959242 0.66 CASP3 (0.46) NPSR1ALDH1A1GAALMNASMN1; SMN2

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-10040896-B2 Silane functionalized compounds and compositions thereof Hexion, Inc. (US) 2018-08-07 — — US disclosed
US-10040896-B2 Silane functionalized compounds and compositions thereof Hexion, Inc. (US) 2018-08-07 — — US disclosed
US-20160090439-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2016-03-31 — — 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 (2 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-20160090439-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF ILK, CAD, CAPG POLB 3996/4885NPSR1 982/4885KDM4E 1221/4885
US-10040896-B2 Silane functionalized compounds and compositions thereof ILK, CAD, CAPG POLB 3996/4885NPSR1 982/4885KDM4E 1221/4885

“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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