SCHEMBL16024326

SCHEMBL16024326

Cc1cc(CNCCCO[PH](=O)O)ccc1C#CCCCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
SCN8A Q9UQD0 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
BCHE P06276 3/20 0.37
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL16024340 0.90 SIGMAR1 (0.38) SIGMAR1MEN1KMT2APOLBBCHE
SCHEMBL16024321 0.90 SIGMAR1 (0.38) SIGMAR1BCHEKDM4EDRD2DRD4
SCHEMBL16024322 0.85 SIGMAR1 (0.46) SIGMAR1BCHEKDM4EDRD2DRD4
SCHEMBL15195727 0.83 MPO (0.37) SIGMAR1KMT2ABCHEDRD2DRD4
SCHEMBL16010829 0.82 S1PR3 (0.53) SIGMAR1
SCHEMBL16024318 0.82 SIGMAR1 (0.46) SIGMAR1SCN8AMEN1KMT2APOLB
SCHEMBL16024316 0.80 SIGMAR1 (0.60) SIGMAR1BCHE
SCHEMBL15806996 0.78 SIGMAR1 (0.41) SIGMAR1SCN8AMEN1KMT2APOLB
SCHEMBL15195723 0.78 HTR5A (0.37) SIGMAR1KMT2ABCHEKDM4EDRD2
SCHEMBL15195718 0.77 MMP2 (0.37) SIGMAR1KDM4E

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
WO-2014138075-A1 PHOSPHONIC ACID COMPOUNDS AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-09-12 WO disclosed
US-20140256945-A1 PHOSPHONIC ACID COMPOUNDS AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-09-11 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-20140256945-A1 PHOSPHONIC ACID COMPOUNDS AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 SIGMAR1 341/4885SCN8A 1794/4885MEN1 2829/4885

“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.