SCHEMBL3312356

SCHEMBL3312356

C=CCCOCc1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RXRA P19793 6/20 0.44
RXRB P28702 5/20 0.44
NR4A2 P43354 3/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
HTT P42858 1/20 0.42
PLA2G4B P0C869 1/20 0.42
RXRG P48443 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3314893 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1RXRARXRBNR4A2
SCHEMBL3311911 0.81 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL9439348 0.80 ALDH1A1 (0.69) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL4739829 0.79 ALDH1A1 (0.59) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL1867995 0.78 TSHR (0.56) ALDH1A1L3MBTL1POLBSMN1; SMN2HTT
SCHEMBL25960462 0.78 ALDH1A1 (0.54) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL1749934 0.77 ALDH1A1 (0.57) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL3102413 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1
SCHEMBL3313611 0.76 ALDH1A1 (0.84) ALDH1A1L3MBTL1NR4A2POLBNR4A1
SCHEMBL9568783 0.76 ALDH1A1 (0.58) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170308-B1 Process for producing a copolymer of a non-polar olefin and a polar olefin MITSUI CHEMICALS INC (JP) 2015-05-06 EP disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
EP-2136624-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS Emisphere Technologies, Inc. (US) 2009-12-30 EP disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 WO disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 WO disclosed
US-7312284-B2 Process for producing polar olefin copolymer and polar olefin copolymer obtained thereby MITSUI CHEMICALS, INC. (JP) 2007-12-25 US disclosed
EP-1832609-A2 Process for producing a copolymer of a non-polar olefin and a polar olefin and the copolymer obtained thereby Mitsui Chemicals, Inc. (JP) 2007-09-12 EP disclosed
US-7053159-B2 Process for producing polar olefin copolymer and polar olefin copolymer obtained thereby MITSUI CHEMICALS, INC. (JP) 2006-05-30 US disclosed
US-20060063898-A1 Process for producing polar olefin copolymer and polar olefin copolymer obtained thereby INOUE YOSHIHISA 2006-03-23 US disclosed
US-20020099155-A1 Process for producing polar olefin copolymer and polar olefin copolymer obtained thereby MITSUI CHEMICALS, INC. (JP) 2002-07-25 US disclosed
EP-1170308-A2 Process for producing a copolymer of a non-polar olefin and a polar olefin and the copolymer obtained thereby Mitsui Chemicals, Inc. (JP) 2002-01-09 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-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS ABCB11, TSPO, AADAC ALDH1A1 196/4885L3MBTL1 4610/4885RXRA 1077/4885

“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.