SCHEMBL3216997

SCHEMBL3216997

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.36
PRKCA P17252 3/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
DGKA P23743 1/20 0.36

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
SCHEMBL3217004 0.93 TSHR (0.46) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL153651 0.78 TSHR (0.77) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL5447277 0.77 LMNA (0.41) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL7644003 0.77 MAPT (0.46) TSHRMAPTCYP3A4ATMTDP1
SCHEMBL10824302 0.76 TDP1 (0.30) TSHRTDP1
SCHEMBL5392962 0.76 TSHR (0.81) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL10834721 0.76 TSHR (0.81) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL11795597 0.76 TSHR (0.81) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL3120781 0.76 TSHR (0.81) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL180289 0.76 TSHR (0.81) TSHRMAPTALDH1A1LMNACYP3A4

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 4676/4885ALDH1A1 368/4885
US-20100056818-A1 PROCESS FOR PREPARING ORGANICALLY MODIFIED SILOXANES HSD17B12, CYP51A1, ESD TSHR 4695/4885MAPT 4676/4885ALDH1A1 368/4885

“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.