SCHEMBL13169271

SCHEMBL13169271

CCCCCCCCCCCCCCCCCN(C)CC(O)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.53
USP2 O75604 1/20 0.44
LMNA P02545 3/20 0.43
DNM1 Q05193 3/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SPHK1 Q9NYA1 3/20 0.38
SPHK2 Q9NRA0 2/20 0.38
CETP P11597 1/20 0.38
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL18935656 1.00 GGPS1 (0.53) GGPS1USP2LMNADNM1S1PR2
SCHEMBL9614232 1.00 GGPS1 (0.53) GGPS1USP2LMNADNM1S1PR2
SCHEMBL8871358 1.00 GGPS1 (0.53) GGPS1USP2LMNADNM1S1PR2
Hydrochloric Acid SCHEMBL4583393 0.98 GGPS1 (0.51) GGPS1USP2LMNADNM1S1PR2
SCHEMBL15296528 0.98 GGPS1 (0.50) GGPS1USP2LMNADNM1S1PR2
SCHEMBL4227388 0.92 GGPS1 (0.43) GGPS1USP2LMNAS1PR2S1PR1
Sulfuric Acid SCHEMBL28431882 0.91 GGPS1 (0.50) GGPS1USP2LMNADNM1S1PR2
SCHEMBL27279880 0.91 GGPS1 (0.53) GGPS1USP2LMNADNM1S1PR2
SCHEMBL17933321 0.90 GGPS1 (0.58) GGPS1LMNADNM1S1PR2S1PR1
SCHEMBL10887257 0.90 GGPS1 (0.58) GGPS1LMNADNM1S1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234228-A1 NOVEL SURFACTANTS AND FORMULATIONS MONSANTO TECHNOLOGY LLC (US) 2010-09-16 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-20100234228-A1 NOVEL SURFACTANTS AND FORMULATIONS PHOSPHO1, GNMT, DDT GGPS1 1253/4885USP2 2991/4885LMNA 2033/4885

“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.