SCHEMBL949121

SCHEMBL949121

CNCc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
FFAR1 O14842 1/20 0.48
PPARG P37231 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
NAAA Q02083 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.44

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
SCHEMBL450711 0.87 PPARG (0.52) L3MBTL1FFAR1PPARGMTNR1AMTNR1B
SCHEMBL451148 0.86 SIGMAR1 (0.47) L3MBTL1FFAR1PPARGMTNR1AMTNR1B
SCHEMBL454055 0.85 PPARG (0.56) PPARGMTNR1AMTNR1BS1PR1S1PR3
SCHEMBL451344 0.82 PPARG (0.56) FFAR1PPARGMTNR1AMTNR1BS1PR1
SCHEMBL5722004 0.82 FFAR1 (0.51) L3MBTL1FFAR1S1PR1S1PR3S1PR5
SCHEMBL437699 0.81 FFAR1 (0.48) L3MBTL1FFAR1MTNR1AMTNR1BS1PR1
SCHEMBL15890904 0.79 S1PR1 (0.71) FFAR1PPARGS1PR1S1PR3S1PR5
SCHEMBL6511727 0.79 ITGB3 (0.48) FFAR1PPARGMTNR1AMTNR1BS1PR1
SCHEMBL450901 0.79 BCHE (0.54)
SCHEMBL13979589 0.79 L3MBTL1 (0.74) L3MBTL1FFAR1S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 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-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 L3MBTL1 1411/4885FFAR1 37/4885PPARG 3532/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 L3MBTL1 1411/4885FFAR1 37/4885PPARG 3532/4885

“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.