SCHEMBL1721145

SCHEMBL1721145

O=C(O)c1ccc(F)cc1COc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.51
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 2/20 0.51
ALDH1A1 P00352 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
PPARA Q07869 1/20 0.46
GRM5 P41594 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
MAP4K4 O95819 1/20 0.45
DCLRE1B Q9H816 1/20 0.44

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
SCHEMBL10554171 0.92 NR4A2 (0.54) NR4A2FFAR1FFAR4ALDH1A1MAOB
SCHEMBL28605553 0.85 PARP10 (0.49) FFAR1FFAR4ALDH1A1PARP14PARP10
SCHEMBL10566317 0.84 FFAR4 (0.52) NR4A2FFAR1FFAR4MAOBNPC1
SCHEMBL4449146 0.84 NR4A2 (0.56) NR4A2NPC1RAB9AMRGPRX4MAP4K4
SCHEMBL4215754 0.83 NR4A2 (0.59) NR4A2ALDH1A1NPC1RAB9ATP53
SCHEMBL9127513 0.81 MRGPRX4 (0.51) NR4A2FFAR1FFAR4ALDH1A1MAOB
SCHEMBL13870505 0.81 TP53 (0.48) NR4A2ALDH1A1NPC1RAB9ATP53
SCHEMBL13870464 0.81 MRGPRX4 (0.59) NR4A2FFAR1FFAR4ALDH1A1NPC1
SCHEMBL13888691 0.81 SRD5A2 (0.56) NR4A2FFAR1FFAR4ALDH1A1PPARA
SCHEMBL13939923 0.81 RAB9A (0.59) NR4A2FFAR1ALDH1A1PARP14PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227037-A Monohalogen or methyl substituted 5-HT2B antagonists with increased activity 北京生命科学研究所 2021-08-06 CN disclosed
CN-110698451-A Substituted dibenzo [ b, e ] thio (oxy) heptacyclo-11 (6H) -ketone compound and preparation method thereof 山东诚汇双达药业有限公司 2020-01-17 CN disclosed
EP-2406248-B1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD KK (JP) 2013-12-25 EP disclosed
US-8362052-B2 Isoindolin-1-one derivative MSD K.K. (JP) 2013-01-29 US disclosed
EP-2406248-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2012-01-18 EP disclosed
US-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2011-12-22 US disclosed
WO-2010104195-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-16 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 (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-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE CBR3, OPRD1, CBR1 NR4A2 1090/4885FFAR1 2483/4885FFAR4 4244/4885

“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.