SCHEMBL3483597

SCHEMBL3483597

[CH2]CN(CC1CCCCC1)C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
METAP2 P50579 2/20 0.40
METAP1 P53582 1/20 0.40
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.39
NPY5R Q15761 1/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3482849 0.75 ALDH1A1 (0.44) ALDH1A1RAB9AATMTDP1L3MBTL1
SCHEMBL3482988 0.75 EPHX2 (0.55) ALDH1A1RAB9AHDAC1HDAC6ATM
SCHEMBL3483063 0.73 TDP1 (0.47) ALDH1A1RAB9APTGESATMTDP1
SCHEMBL30409823 0.71 ALDH1A1 (0.54) ALDH1A1RAB9AHDAC1HDAC6PTGES
SCHEMBL8063671 0.71 ALDH1A1 (0.53) ALDH1A1RAB9AATMTDP1L3MBTL1
SCHEMBL6512103 0.71 ALDH1A1 (0.53) ALDH1A1RAB9AATMTDP1L3MBTL1
SCHEMBL4105896 0.71 HPGD (0.54) ALDH1A1RAB9AL3MBTL1METAP2METAP1
SCHEMBL1836770 0.71 ALDH1A1 (0.49) ALDH1A1RAB9AATMTDP1L3MBTL1
SCHEMBL3483350 0.71 KMT2A (0.46) ALDH1A1RAB9AATMTDP1L3MBTL1
SCHEMBL8773484 0.70 HDAC1 (0.61) ALDH1A1RAB9AHDAC1HDAC6PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ALDH1A1 1731/4885RAB9A 2296/4885HDAC1 1090/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885RAB9A 2601/4885HDAC1 1426/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885RAB9A 2601/4885HDAC1 1426/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 ALDH1A1 1812/4885RAB9A 447/4885HDAC1 322/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885RAB9A 2601/4885HDAC1 1426/4885

“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.