SCHEMBL10138600

SCHEMBL10138600

CCCOCCOCC(COCCOCCO)(COCCOCCO)COCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.50
THRB P10828 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CES1 P23141 1/20 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
SCHEMBL12394987 1.00 MEN1 (0.50) MEN1KMT2ATSHRTHRBHTT
SCHEMBL14997573 0.95 TSHR (0.48) MEN1KMT2ATSHRTHRBHTT
SCHEMBL12240798 0.88 THRB (0.36) MEN1KMT2ATSHRTHRBHTT
SCHEMBL7898330 0.88 MEN1 (0.65) MEN1KMT2ATSHRTHRBHTT
SCHEMBL26397994 0.88 MEN1 (0.65) MEN1KMT2ATSHRTHRBHTT
SCHEMBL11954753 0.88 MEN1 (0.65) MEN1KMT2ATSHRTHRBHTT
SCHEMBL24848157 0.86 TSHR (0.44) MEN1KMT2ATSHRTHRBHTT
SCHEMBL26474467 0.85 MEN1 (0.61) MEN1KMT2ATSHRTHRBHTT
SCHEMBL16473877 0.85 THRB (0.35) MEN1KMT2ATSHRTHRBHTT
SCHEMBL9639261 0.85 MEN1 (0.69) MEN1KMT2ATSHRTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310912-A1 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES (US) 2013-11-21 US disclosed
US-20120046735-A1 PLASMA MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-02-23 US disclosed
US-20120046757-A1 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES (US) 2012-02-23 US disclosed
US-8066824-B2 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES, INC. (US) 2011-11-29 US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 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-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 MEN1 3171/4885KMT2A 1129/4885TSHR 3733/4885
US-20120046757-A1 COVALENT MODIFICATION OF METAL SURFACES ITGAL, ITGA1, ITGA5 MEN1 3171/4885KMT2A 1129/4885TSHR 3733/4885

“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.