SCHEMBL2431626

SCHEMBL2431626

C=CCOc1cccc(C(=O)OC)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.55
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BLM P54132 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL30195826 0.86 LIG1 (0.68) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL385145 0.86 LIG1 (0.68) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL3937140 0.85 LIG1 (0.55) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL11239113 0.85 LIG1 (0.55) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL28857891 0.85 LIG1 (0.54) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL27572571 0.85 LIG1 (0.48) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL4651182 0.83 LIG1 (0.52) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL27597729 0.82 CYP3A4 (0.65) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL5240328 0.82 LIG1 (0.51) LIG1ADRB2ADRB1ADRB3KDM4E
SCHEMBL5228094 0.82 LIG1 (0.51) LIG1ADRB2ADRB1ADRB3KDM4E

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
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 US disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO 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 (6 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR LIG1 3958/4885ADRB2 1874/4885ADRB1 1857/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR LIG1 3958/4885ADRB2 1874/4885ADRB1 1857/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR LIG1 3958/4885ADRB2 1874/4885ADRB1 1857/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR LIG1 3958/4885ADRB2 1874/4885ADRB1 1857/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 LIG1 3786/4885ADRB2 3/4885ADRB1 5/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR LIG1 3958/4885ADRB2 1874/4885ADRB1 1857/4885

“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.