SCHEMBL15022702

SCHEMBL15022702

COc1cccc(CCCCCOc2ccc(CNCCCP(=O)(O)O)cc2-c2ccoc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 16/20 0.52
S1PR1 P21453 16/20 0.52
S1PR3 Q99500 16/20 0.52
LPAR2 Q9HBW0 16/20 0.52
CHRM2 P08172 1/20 0.43
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
SCN8A Q9UQD0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1979478 0.89 S1PR3 (0.52) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL15042628 0.87 CHRM2 (0.42) CHRM2SCN8AKDM4EMEN1ALDH1A1
SCHEMBL15022561 0.86 S1PR2 (0.53) S1PR2S1PR1S1PR3LPAR2CHRM2
SCHEMBL15022697 0.83 S1PR2 (0.53) S1PR2S1PR1S1PR3LPAR2CHRM2
SCHEMBL15023259 0.82 S1PR2 (0.54) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL15022909 0.79 S1PR2 (0.54) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL15023066 0.79 S1PR1 (0.54) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL15023064 0.79 S1PR2 (0.54) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL15022688 0.79 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL15929743 0.79 HDAC1 (0.40) CHRM2ALDH1A1

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 12 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 claimed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US claimed
US-8741875-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-06-03 US claimed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 US claimed
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
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-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-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
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 S1PR2 3/4885S1PR1 1/4885S1PR3 2/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 S1PR2 3/4885S1PR1 1/4885S1PR3 2/4885

“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.