SCHEMBL21428085

SCHEMBL21428085

CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 5/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CETP P11597 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ GMNN O75496 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ MTOR P42345 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ UBE2N P61088 1/20 0.55
▸ SPHK2 Q9NRA0 2/20 0.53
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ASAH1 Q13510 1/20 0.42

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
SCHEMBL15057401 1.00 SPHK1 (0.55) SPHK1CYP2D6CETPLMNAGMNN
SCHEMBL21636787 1.00 SPHK1 (0.55) SPHK1CYP2D6CETPLMNAGMNN
Hydrochloric Acid SCHEMBL7612591 0.98 SPHK1 (0.53) SPHK1CYP2D6CETPLMNAGMNN
SCHEMBL1630183 0.98 SPHK1 (0.52) SPHK1CYP2D6CETPLMNAGMNN
SCHEMBL4145583 0.83 LMNA (0.48) SPHK1CYP2D6CETPLMNAGMNN
Ammonia Solution, Strong SCHEMBL27688807 0.82 SPHK1 (0.48) SPHK1CYP2D6CETPLMNAGMNN
SCHEMBL21636792 0.82 SPHK1 (0.52) SPHK1CYP2D6CETPLMNAGMNN
SCHEMBL21428147 0.80 SPHK1 (0.49) SPHK1CYP2D6CETPLMNAGMNN
Phosphoric Acid SCHEMBL10482628 0.79 PTPN1 (0.50) SPHK1CYP2D6CETPLMNAGMNN
SCHEMBL10441289 0.77 SPHK1 (0.54) SPHK1CYP2D6CETPLMNAGMNN

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-20210015767-A1 ARTIFICIALLY SYNTHESIZED SPHINGOSINE DERIVATIVE LIPOID MONOMER AND USE OF SAME FOR DELIVERING NUCLEIC ACID BEIJING BAISHIHEKANG PHARMACEUTICAL TECHNOLOGY (BSJPHARMA) CO., LTD (CN) 2021-01-21 — — US disclosed
WO-2019185038-A1 ARTIFICIALLY SYNTHESIZED SPHINGOSINE DERIVATIVE LIPOID MONOMER AND USE OF SAME FOR DELIVERING NUCLEIC ACID 中国医学科学院基础医学研究所 2019-10-03 — — 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-20210015767-A1 ARTIFICIALLY SYNTHESIZED SPHINGOSINE DERIVATIVE LIPOID MONOMER AND USE OF SAME FOR DELIVERING NUCLEIC ACID SPHK2, SPHK1, S1PR2 SPHK1 2/4885CYP2D6 4037/4885CETP 80/4885

“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.

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