SCHEMBL4965618

SCHEMBL4965618

O=C(O)NCc1ccc2cc(OCCCc3ccccc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 1/20 0.51
MCL1 Q07820 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PPARG P37231 1/20 0.47
NAMPT P43490 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL947200 0.85 FFAR1 (0.59) FFAR1MTNR1AMTNR1BS1PR1S1PR3
SCHEMBL947719 0.83 S1PR1 (0.70) FFAR1S1PR1S1PR3PPARG
Hydrochloric Acid SCHEMBL3541048 0.82 S1PR1 (0.68) FFAR1S1PR1S1PR3PPARG
SCHEMBL948219 0.82 S1PR1 (0.65) FFAR1S1PR1S1PR3PPARG
SCHEMBL948541 0.81 S1PR1 (0.48) FFAR1MTNR1AMTNR1BS1PR1S1PR3
SCHEMBL15890895 0.79 S1PR1 (0.70) FFAR1S1PR1S1PR3PPARG
SCHEMBL15890904 0.78 S1PR1 (0.71) FFAR1S1PR1S1PR3PPARG
Hydrochloric Acid SCHEMBL5722062 0.78 S1PR1 (0.69) FFAR1S1PR1S1PR3PPARG
SCHEMBL1695082 0.78 NR1H4 (0.58) FFAR1
Hydrochloric Acid SCHEMBL948350 0.77 S1PR1 (0.69) FFAR1S1PR1S1PR3PPARG

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-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 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-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885MTNR1A 207/4885MTNR1B 261/4885

“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.