SCHEMBL15042579

SCHEMBL15042579

O=[PH](O)OCCCNCc1cc(-c2ccco2)c(OCCCCCc2ccc(F)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
KMT2A Q03164 2/20 0.33
SLC6A5 Q9Y345 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
CASP6 P55212 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15042495 0.94 ALDH1A1 (0.36) ALDH1A1KMT2AS1PR1S1PR3KDM4E
SCHEMBL15042598 0.91 SLC6A5 (0.35) ALDH1A1TRPV6KMT2ASLC6A5SMN1; SMN2
SCHEMBL15042635 0.89 MPO (0.38) ALDH1A1KMT2ASCN8A
SCHEMBL15042476 0.89 S1PR2 (0.37) ALDH1A1KMT2AS1PR2S1PR1S1PR3
SCHEMBL15042553 0.88 ALDH1A1 (0.36) ALDH1A1KMT2AS1PR2S1PR1S1PR3
SCHEMBL15042494 0.88 SLC6A5 (0.35) KMT2ASLC6A5SMN1; SMN2CASP6KDM4E
SCHEMBL15022595 0.86 S1PR2 (0.48) SLC6A5S1PR2S1PR1S1PR3LPAR2
SCHEMBL15042515 0.85 KMT2A (0.33) TRPV6KMT2ASLC6A5S1PR2S1PR1
SCHEMBL15746766 0.84 SCN8A (0.34) TRPV6KMT2ASLC6A5SMN1; SMN2SCN8A
SCHEMBL15042607 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AS1PR2S1PR1S1PR3

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 ALDH1A1 3552/4885TRPV6 234/4885KMT2A 4028/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 ALDH1A1 3552/4885TRPV6 234/4885KMT2A 4028/4885

“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.