SCHEMBL449626

SCHEMBL449626

O=C(C=Cc1ccc(OCCCCc2ccccc2)cc1)NCCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 1/20 0.62
MMP1 P03956 2/20 0.59
MMP2 P08253 2/20 0.59
MMP9 P14780 2/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
S1PR1 P21453 3/20 0.58
S1PR3 Q99500 2/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 2/20 0.56
NLRP3 Q96P20 1/20 0.56
NDUFS8 O00217 1/20 0.55
COXFA4 O00483 1/20 0.55
NDUFAB1 O14561 1/20 0.55

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
SCHEMBL449625 1.00 LMNA (0.66) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4657743 0.90 S1PR1 (0.69) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4657740 0.90 S1PR1 (0.69) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4657194 0.87 LMNA (0.61) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4657195 0.87 LMNA (0.61) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL451121 0.82 S1PR1 (0.61) LMNAKMT2AALDH1A1MEN1S1PR1
SCHEMBL451122 0.82 S1PR1 (0.61) LMNAKMT2AALDH1A1MEN1S1PR1
SCHEMBL8380557 0.81 SMN1; SMN2 (0.62) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL17117366 0.80 MMP1 (0.80) LMNAKMT2AALDH1A1MEN1MMP1
SCHEMBL7377120 0.80 MMP1 (0.80) LMNAKMT2AALDH1A1MEN1MMP1

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 LMNA 3842/4885KMT2A 2641/4885ALDH1A1 2245/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 LMNA 3904/4885KMT2A 2410/4885ALDH1A1 2082/4885

“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.