SCHEMBL16024316

SCHEMBL16024316

O=[PH](O)OCCCNCc1ccc(CCCCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.60
BCHE P06276 2/20 0.52
MAOA P21397 1/20 0.50
CHRM2 P08172 1/20 0.49
S1PR1 P21453 4/20 0.48
S1PR3 Q99500 3/20 0.48
S1PR2 O95136 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL15806698 0.91 SIGMAR1 (0.50) SIGMAR1BCHEMAOACHRM2S1PR1
SCHEMBL16024318 0.87 SIGMAR1 (0.46) SIGMAR1BCHES1PR1S1PR3S1PR2
SCHEMBL16024317 0.86 SIGMAR1 (0.45) SIGMAR1BCHES1PR1S1PR3S1PR5
SCHEMBL16024330 0.86 SIGMAR1 (0.45) SIGMAR1BCHES1PR1S1PR3S1PR5
SCHEMBL16026199 0.86 SIGMAR1 (0.45) SIGMAR1BCHES1PR1S1PR3S1PR2
SCHEMBL16024322 0.86 SIGMAR1 (0.46) SIGMAR1BCHES1PR1S1PR3HDAC3
SCHEMBL16026090 0.86 HDAC1 (0.44) SIGMAR1BCHES1PR1S1PR3S1PR2
SCHEMBL13469983 0.85 SIGMAR1 (0.46) SIGMAR1S1PR1S1PR3S1PR2S1PR5
SCHEMBL28784998 0.84 MAPT (0.50) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27522937 0.84 MAPT (0.50) SIGMAR1HDAC3HDAC4HDAC1HDAC7

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 341/4885BCHE 4082/4885MAOA 3858/4885

“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.