SCHEMBL95596

SCHEMBL95596

[CH2]CCOc1ccc(OC)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
MAPT P10636 8/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
HPGD P15428 4/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 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
SCHEMBL8539894 0.89 MAPT (0.53) S1PR4MRGPRX4MAPTL3MBTL1TDP1
SCHEMBL8903264 0.86 MAPT (0.60) S1PR4MRGPRX4MAPTL3MBTL1TDP1
SCHEMBL2091304 0.86 MRGPRX4 (0.49) S1PR4MRGPRX4MAPTL3MBTL1TDP1
SCHEMBL9217899 0.84 MAPT (0.54) S1PR4MRGPRX4MAPTL3MBTL1TDP1
SCHEMBL8358491 0.83 MAPT (0.50) S1PR4MRGPRX4MAPTL3MBTL1TDP1
SCHEMBL8358492 0.83 MAPT (0.53) S1PR4MRGPRX4MAPTL3MBTL1TDP1
SCHEMBL2004375 0.83 S1PR4 (0.51) S1PR4MRGPRX4MAPTL3MBTL1TDP1
SCHEMBL6608879 0.82 CA12 (0.61) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL11565117 0.81 MAPT (0.51) S1PR4MRGPRX4MAPTL3MBTL1TDP1
SCHEMBL8536866 0.81 MAPT (0.51) S1PR4MRGPRX4MAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB S1PR4 3698/4885MRGPRX4 3637/4885MAPT 4112/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 S1PR4 754/4885MRGPRX4 2020/4885MAPT 4773/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 S1PR4 754/4885MRGPRX4 2020/4885MAPT 4773/4885

“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.