SCHEMBL16024317

SCHEMBL16024317

O=[PH](O)OCCCNCc1ccc(CCCCCCc2ccccc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
P4HB P07237 1/20 0.42
POLB P06746 1/20 0.41
BCHE P06276 2/20 0.40
KMT2A Q03164 3/20 0.40
PLAAT3 P53816 2/20 0.40
PLAAT5 Q96KN8 2/20 0.40
PLAAT2 Q9NWW9 2/20 0.40
PLAAT4 Q9UL19 2/20 0.40
MEN1 O00255 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL16024309 0.91 CYP1A2 (0.46) KDM4EKMT2AS1PR1S1PR3
SCHEMBL16026213 0.89 MPO (0.47) KMT2AMEN1
SCHEMBL16024318 0.88 SIGMAR1 (0.46) SIGMAR1POLBBCHEKMT2AMEN1
SCHEMBL16024335 0.87 KDM4E (0.40) TRPV1KDM4ENPSR1P4HBPOLB
SCHEMBL16024330 0.87 SIGMAR1 (0.45) SIGMAR1KDM4EBCHES1PR1S1PR3
SCHEMBL16024316 0.86 SIGMAR1 (0.60) SIGMAR1BCHES1PR1S1PR3S1PR5
SCHEMBL15806994 0.85 SIGMAR1 (0.41) SIGMAR1TRPV1KDM4ENPSR1P4HB
SCHEMBL16024339 0.85 SIGMAR1 (0.42) SIGMAR1BCHES1PR1S1PR3S1PR5
SCHEMBL16024286 0.85 SIGMAR1 (0.40) SIGMAR1KDM4ENPSR1P4HBPOLB
SCHEMBL16024305 0.84 KDM4E (0.34) KDM4ENPSR1P4HBPOLBBCHE

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 341/4885TRPV1 219/4885KDM4E 4264/4885

“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.