SCHEMBL97802

SCHEMBL97802

[CH2]c1ccccc1C(=O)OCCC

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.76
TSHR P16473 7/20 0.61
TDP1 Q9NUW8 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP3A4 P08684 2/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 1/20 0.59
LMNA P02545 2/20 0.58
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.50
MAOB P27338 1/20 0.49
ESR1 P03372 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
PDK2 Q15119 1/20 0.47

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
SCHEMBL5675135 0.90 TSHR (0.77) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9567416 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL112063 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL19066309 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3860388 0.85 TSHR (0.74) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL888567 0.81 ALDH1A1 (0.89) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28754866 0.81 ALDH1A1 (0.75) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28718303 0.81 ALDH1A1 (0.81) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Ethylene SCHEMBL31174287 0.81 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL235931 0.80 ALDH1A1 (0.85) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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 15 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
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-5856334-A ANTAGONIST FOR EOSINOPHILS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
EP-0773219-A1 IMIDAZOQUINOLINE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed
US-5354729-A Controlling weeds at low dosage; nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-10-11 US disclosed
EP-0579469-A2 N-acyldihydroquinoline derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-01-19 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 (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 ALDH1A1 2948/4885TSHR 3439/4885TDP1 3588/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885TSHR 110/4885TDP1 4079/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885TSHR 110/4885TDP1 4079/4885

“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.