SCHEMBL925918

SCHEMBL925918

COC(=O)CCc1cc(Br)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ GSTP1 P09211 1/20 0.36
▸ GSTM2 P28161 1/20 0.36

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
SCHEMBL3692154 0.86 ALDH1A1 (0.45) KMT2AMEN1PKMMAPTPDGFRB
SCHEMBL3689373 0.85 KMT2A (0.45) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL3130670 0.84 TRPV1 (0.44) KMT2AMAPTLMNAALDH1A1IDO1
SCHEMBL13508927 0.83 KMT2A (0.39) KMT2AMEN1PKMMAPTPDGFRB
SCHEMBL3687250 0.83 THRA (0.43) —
SCHEMBL9520168 0.82 GAA (0.52) KMT2AMEN1GPR35LMNAALDH1A1
SCHEMBL5416433 0.78 POLB (0.50) KMT2AMAPTGPR35ALDH1A1HPGD
SCHEMBL30201064 0.78 POLB (0.50) KMT2AMAPTGPR35ALDH1A1HPGD
SCHEMBL5072092 0.77 TRPV1 (0.54) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL3684924 0.77 THRA (0.39) MAPTIDO1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620431-A1 Novel crystals of substituted phenylalkanoic acid and production process Asahi Kasei Pharma Corporation (JP) 2013-07-31 — — EP disclosed
EP-2045244-B1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS ASAHI KASEI PHARMA CORP (JP) 2013-04-03 — — EP disclosed
CN-102690234-A Novel crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORP 2012-09-26 — — CN disclosed
CN-101490012-B Novel crystal of substituted phenylalkanoic acid and process for producing same ASAHI KASEI PHARMA CORP 2012-07-18 — — CN disclosed
US-7935720-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2011-05-03 — — US disclosed
US-20110021593-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2011-01-27 — — US disclosed
US-7838546-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-11-23 — — US disclosed
US-20100234440-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2010-09-16 — — US disclosed
US-7754752-B2 Crystals of substituted phenylalkanoic acid and method of producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-07-13 — — US disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 — — US disclosed
US-20080070967-A1 Novel crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2008-03-20 — — US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 — — US disclosed
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 — — CN disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 — — EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 — — EP disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 — — CN disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 — — US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 — — WO disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 — — EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 — — 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 KMT2A 1597/4885MEN1 4864/4885PKM 2058/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 KMT2A 2392/4885MEN1 4756/4885PKM 865/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 KMT2A 1597/4885MEN1 4864/4885PKM 2058/4885

“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.

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