SCHEMBL449809

SCHEMBL449809

CC(=O)c1cccc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
NR1H4 Q96RI1 1/20 0.65
ALDH1A1 P00352 4/20 0.64
HTT P42858 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
GAA P10253 2/20 0.56
FFAR1 O14842 1/20 0.56
MDH1 P40925 2/20 0.55
POLB P06746 1/20 0.53

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
SCHEMBL4657024 0.94 NR1H4 (0.74) RAB9ANR1H4ALDH1A1HTTMEN1
SCHEMBL453370 0.91 NR1H4 (0.59) RAB9ANR1H4ALDH1A1HTTMEN1
SCHEMBL453369 0.91 NR1H4 (0.59) RAB9ANR1H4ALDH1A1HTTMEN1
SCHEMBL4658301 0.91 NR1H4 (0.64) RAB9ANR1H4ALDH1A1HTTMEN1
SCHEMBL450128 0.88 FFAR1 (0.68) NR1H4HTTMAPTCYP1A2CYP3A4
SCHEMBL451124 0.87 MAPT (0.59) RAB9ANR1H4ALDH1A1HTTSMN1; SMN2
SCHEMBL987837 0.86 FFAR1 (0.60) RAB9ANR1H4ALDH1A1HTTSMN1; SMN2
SCHEMBL949371 0.86 GAA (0.70) NR1H4ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL4658103 0.85 GAA (0.69) RAB9ANR1H4ALDH1A1HTTLMNA
SCHEMBL4657996 0.85 ALDH1A1 (0.61) RAB9ANR1H4ALDH1A1HTTSMN1; SMN2

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 RAB9A 2895/4885NR1H4 276/4885ALDH1A1 2245/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 RAB9A 2556/4885NR1H4 249/4885ALDH1A1 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.