SCHEMBL12977331

SCHEMBL12977331

CCCCCCCCCCC(C)C(O)CNCCN(CCN)CCNC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.39
S1PR2 O95136 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR4 O95977 4/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
CYP2D6 P10635 2/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 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
SCHEMBL13354519 0.95 SPHK1 (0.42) SPHK1GNAI3GNAO1GNAI1CYP2D6
SCHEMBL13354522 0.95 SPHK1 (0.42) SPHK1GNAI3GNAO1GNAI1CYP2D6
SCHEMBL16500375 0.94 SPHK1 (0.38) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL12977340 0.89 SPHK1 (0.38) SPHK1GNAI3GNAO1GNAI1CYP2D6
SCHEMBL12977334 0.86 SPHK1 (0.40) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL16919608 0.86 SPHK1 (0.35) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL16919615 0.84 SPHK1 (0.36) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL13354385 0.83 SPHK1 (0.41) SPHK1GNAI3GNAO1GNAI1CYP2D6
SCHEMBL16919606 0.82 SPHK1 (0.36) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL12977339 0.82 SPHK1 (0.36) SPHK1CYP2D6PLA2G1BPLA2G2AGMNN

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-8450298-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-28 US disclosed
US-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-30 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-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT SPHK1 913/4885S1PR2 724/4885S1PR1 680/4885

“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.