SCHEMBL448681

SCHEMBL448681

OCCN(Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1)Cc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1H3 Q13133 7/20 0.41
NR1H2 P55055 5/20 0.41
RXRA P19793 2/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
VHL P40337 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HTT P42858 1/20 0.40
BCHE P06276 3/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KCNA5 P22460 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL453207 0.87 MEN1 (0.54) MEN1KMT2ANR1H3ALDH1A1MAPT
SCHEMBL451613 0.87 HTT (0.49) MEN1KMT2AHTTBCHEKCNA5
SCHEMBL447970 0.86 BCHE (0.52) HTTBCHEKCNA5CYSLTR1S1PR1
SCHEMBL448077 0.85 MTNR1A (0.45) HTTBCHEMTNR1AMTNR1BKCNA5
SCHEMBL450213 0.85 MEN1 (0.46) MEN1KMT2AHTTBCHEKCNA5
SCHEMBL448919 0.85 MTNR1A (0.48) BCHEMTNR1AMTNR1BKCNA5CYSLTR1
SCHEMBL451372 0.84 HTT (0.50) MEN1KMT2AHTTBCHEKCNA5
SCHEMBL450152 0.84 ALDH1A1 (0.39) MEN1KMT2ANR1H3ALDH1A1MAPT
SCHEMBL451365 0.83 HTT (0.46) MEN1KMT2AHTTBCHEKCNA5
SCHEMBL451860 0.83 TSHR (0.49) HTTBCHEKCNA5CYSLTR1S1PR1

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 6 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA MEN1 1245/4885KMT2A 2641/4885NR1H3 135/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 MEN1 1153/4885KMT2A 2410/4885NR1H3 145/4885

“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.