SCHEMBL6522344

SCHEMBL6522344

O=C(O)c1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 1.00
RXRB P28702 2/20 1.00
RXRG P48443 2/20 1.00
NR4A2 P43354 5/20 0.76
MAOB P27338 4/20 0.76
MAOA P21397 2/20 0.76
MRGPRX4 Q96LA9 5/20 0.74
NR4A1 P22736 1/20 0.69
NR4A3 Q92570 1/20 0.69
SRD5A2 P31213 1/20 0.63
PTPRC P08575 1/20 0.61
PTPN1 P18031 1/20 0.61
ALOX5 P09917 1/20 0.61
TP53 P04637 1/20 0.61
PKM P14618 1/20 0.61
NFKB1 P19838 1/20 0.61
RAB9A P51151 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL29784197 1.00 RXRA (1.00) RXRARXRBRXRGNR4A2MAOB
SCHEMBL13802461 0.87 NR4A2 (1.00) RXRARXRBRXRGNR4A2MAOB
SCHEMBL29784229 0.87 NR4A2 (1.00) RXRARXRBRXRGNR4A2MAOB
SCHEMBL26104457 0.85 RXRA (0.74) RXRARXRBRXRGNR4A2MAOB
SCHEMBL694229 0.85 RXRA (1.00) RXRARXRBRXRGNR4A2MAOB
SCHEMBL22480973 0.85 MRGPRX4 (1.00) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL1123461 0.83 NR4A2 (0.81) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL3624161 0.82 MAOB (0.73) RXRARXRBRXRGNR4A2MAOB
SCHEMBL6830467 0.82 NR4A2 (1.00) RXRARXRBRXRGNR4A2MAOB
SCHEMBL228477 0.82 NR4A2 (1.00) RXRARXRBRXRGNR4A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-8680150-B2 Small molecule hematopoietic growth factor mimetic compounds that activate hematopoietic growth factor receptors LIGAND PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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 (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-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RXRA 1589/4885RXRB 1966/4885RXRG 1496/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG RXRA 4515/4885RXRB 4498/4885RXRG 4575/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG RXRA 4515/4885RXRB 4498/4885RXRG 4575/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 RXRA 3288/4885RXRB 3134/4885RXRG 3235/4885
US-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS MPL, CSF3R, CSF1R RXRA 650/4885RXRB 743/4885RXRG 504/4885
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RXRA 1589/4885RXRB 1966/4885RXRG 1496/4885

“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.