SCHEMBL12451647

SCHEMBL12451647

CCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ TP53 P04637 3/20 0.51
▸ CYP2D6 P10635 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CETP P11597 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ THRB P10828 3/20 0.46
▸ ASAH1 Q13510 2/20 0.46
▸ ASAH2 Q9NR71 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GMNN O75496 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ CXCR5 P32302 2/20 0.40

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
SCHEMBL12451634 0.87 PLA2G4A (0.41) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL17804033 0.85 PLA2G4A (0.48) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL6410388 0.83 MAPT (0.74) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL6410392 0.83 MAPT (0.74) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL10025150 0.83 MAPT (0.74) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL6419171 0.83 MAPT (0.74) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL315529 0.83 MAPT (0.74) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL12451652 0.83 MAPT (0.74) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL16581551 0.78 MAPT (0.54) MAPTTP53CYP2D6MAPK1CYP1A2
SCHEMBL16586850 0.78 MAPT (0.54) MAPTTP53CYP2D6MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359389-B2 Caged ceramide-1-phosphate derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-06-07 — — US disclosed
US-20120238018-A1 Caged Ceramide-1-Phosphate Derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2012-09-20 — — US disclosed
WO-2011056599-A2 CAGED CERAMIDE-1-PHOSPHATE DERIVATIVES RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2011-05-12 — — WO 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-20120238018-A1 Caged Ceramide-1-Phosphate Derivatives CERT1, SGMS1, CERS2 MAPT 2333/4885TP53 2551/4885CYP2D6 4857/4885

“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.

Send feedback