SCHEMBL3897193

SCHEMBL3897193

CCOC(=O)C1CCCN(c2cccc(OCc3ccccc3)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
POLB P06746 1/20 0.59
ALDH1A1 P00352 5/20 0.56
KDM2B Q8NHM5 1/20 0.56
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.51
NPC1 O15118 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
EGFR P00533 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3890380 0.87 KDM2B (0.56) KDM2BKDM4ELMNA
SCHEMBL31175186 0.84 ALDH1A1 (0.70) L3MBTL1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL24873099 0.82 ALDH1A1 (0.66) POLBALDH1A1KDM4ELMNAMAPT
SCHEMBL24872873 0.82 BCL9 (0.61) ALDH1A1LMNAMAPTCYP3A4CYP2C9
SCHEMBL14528293 0.79 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM2BHSD17B10NPC1
SCHEMBL611098 0.79 KDM2B (0.48) ALDH1A1KDM2BKDM4E
SCHEMBL10123430 0.79 KDM2B (0.48) ALDH1A1KDM2BKDM4E
SCHEMBL4961302 0.79 KDM2B (0.48) ALDH1A1KDM2BKDM4E
SCHEMBL611097 0.79 KDM2B (0.48) ALDH1A1KDM2BKDM4E
SCHEMBL30361577 0.77 BCL9 (0.50) ALDH1A1HSD17B10KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189231-B Novel cyclic aminophenylalkanoic acid derivative KYORIN SEIYAKU KK 2011-05-18 CN disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
CN-101189231-A Novel cyclic aminophenylalkanoic acid derivative KYORIN SEIYAKU KK (JP) 2008-05-28 CN disclosed
EP-1862464-A1 NOVEL CYCLIC AMINOPHENYLALKANOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-12-05 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 (1 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-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative PPARA, PPARD, PPARG L3MBTL1 4698/4885POLB 2579/4885ALDH1A1 335/4885

“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.