SCHEMBL17148808

SCHEMBL17148808

CCCCCCCCC(O)(CCCCCC)COCCO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
THRB P10828 1/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 2/20 0.50
CES1 P23141 1/20 0.47
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMPD1 P17405 1/20 0.39
FDPS P14324 3/20 0.38
GGPS1 O95749 1/20 0.38

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
SCHEMBL28187617 1.00 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11520330 1.00 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28119471 1.00 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11397721 0.96 MEN1 (0.62) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28193571 0.92 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL36394 0.92 TSHR (0.54) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL29183839 0.91 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT
SCHEMBL27903261 0.89 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19032526 0.89 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4813182 0.88 TSHR (0.56) MEN1KMT2ATHRBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284350-A1 VINYLIDENE DIMER DERIVATIVES SHELL OIL COMPANY 2015-10-08 US disclosed
US-20150284350-A1 VINYLIDENE DIMER DERIVATIVES SHELL OIL COMPANY 2015-10-08 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-20150284350-A1 VINYLIDENE DIMER DERIVATIVES MVD, PPOX, VKORC1 MEN1 4562/4885KMT2A 2173/4885THRB 4472/4885

“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.