SCHEMBL3217004

SCHEMBL3217004

C=CCOC(COC(=O)CCCCC(=O)O)OCC=C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
MAPT P10636 2/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 5/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
PAM P19021 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 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
SCHEMBL3216997 0.93 TSHR (0.51) TSHRMAPTALDH1A1GAALMNA
SCHEMBL481761 0.82 TSHR (0.45) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL87404 0.81 TSHR (0.67) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL2249400 0.79 TSHR (0.70) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL14533033 0.79 TSHR (0.70) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL530482 0.79 TSHR (0.70) TSHRMAPTABCC4ALDH1A1GAA
Ethylene SCHEMBL28109697 0.79 TSHR (0.65) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL9011445 0.79 TSHR (0.70) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL11763281 0.79 TSHR (0.70) TSHRMAPTABCC4ALDH1A1GAA
SCHEMBL7161127 0.77 TSHR (0.39) TSHRMAPTABCC4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198473-B2 Process for preparing organically modified siloxanes EVONIK GOLDSCHMIDT GMBH (DE) 2012-06-12 US disclosed
US-20100056818-A1 PROCESS FOR PREPARING ORGANICALLY MODIFIED SILOXANES EVONIK GOLDSCHMIDT GMBH (DE) 2010-03-04 US disclosed
US-7635581-B2 Process for preparing organically modified siloxanes GOLDSCHMIDT GMBH (DE) 2009-12-22 US disclosed
US-20070184006-A1 PROCESS FOR PREPARING ORGANICALLY MODIFIED SILOXANES GOLDSCHMIDT GMBH (DE) 2007-08-09 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-20070184006-A1 PROCESS FOR PREPARING ORGANICALLY MODIFIED SILOXANES HSD17B12, CYP51A1, ESD TSHR 4695/4885MAPT 4676/4885ABCC4 3885/4885
US-20100056818-A1 PROCESS FOR PREPARING ORGANICALLY MODIFIED SILOXANES HSD17B12, CYP51A1, ESD TSHR 4695/4885MAPT 4676/4885ABCC4 3885/4885

“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.