SCHEMBL15042486

SCHEMBL15042486

O=[PH](O)OCCCNCc1ccc(OCCCCCc2ccc(Cl)cc2)c(-c2ccco2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 4/20 0.38
S1PR2 O95136 6/20 0.37
S1PR1 P21453 6/20 0.37
S1PR3 Q99500 6/20 0.37
LPAR2 Q9HBW0 6/20 0.37
PPARD Q03181 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL15042607 0.93 ALDH1A1 (0.39) KMT2AMEN1LMNANPSR1KDM4E
SCHEMBL15042524 0.93 CHRM2 (0.40) KMT2AMEN1LMNANPSR1KDM4E
SCHEMBL15042476 0.91 S1PR2 (0.37) KMT2AMEN1KDM4ES1PR2S1PR1
SCHEMBL15042553 0.90 ALDH1A1 (0.36) KMT2AMEN1KDM4ES1PR2S1PR1
SCHEMBL15042597 0.90 ALDH1A1 (0.39) KMT2AMEN1KDM4ES1PR2S1PR1
SCHEMBL15042514 0.89 S1PR2 (0.42) KMT2AMEN1LMNAKDM4ES1PR2
SCHEMBL15042586 0.88 KDM4E (0.39) KDM4ES1PR2S1PR1S1PR3LPAR2
SCHEMBL15042634 0.86 CHRM2 (0.43) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL15042484 0.86 S1PR2 (0.42) KMT2AMEN1KDM4ES1PR2S1PR1
SCHEMBL15042532 0.86 KMT2A (0.39) KMT2AMEN1KDM4ES1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-8741875-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-06-03 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 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 (2 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-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 KMT2A 4028/4885MEN1 3132/4885LMNA 3781/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 KMT2A 4028/4885MEN1 3132/4885LMNA 3781/4885

“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.