SCHEMBL7016563

SCHEMBL7016563

O=C(c1ccc(F)cc1)c1ccc(CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.57
LTA4H P09960 1/20 0.55
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ALPG P10696 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL8186531 0.89 PRSS1 (0.52) S1PR1LMNAALDH1A1MAPTHPGD
SCHEMBL8577031 0.84 LTA4H (0.57) S1PR1LTA4HCES2CES1LMNA
SCHEMBL9018906 0.84 LTA4H (0.57) S1PR1LTA4HCES2CES1LMNA
SCHEMBL15233235 0.83
SCHEMBL23462 0.83
SCHEMBL1736339 0.83 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL238259 0.83 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL8572071 0.83 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL15199479 0.83 LTA4H (0.55) S1PR1LTA4HCES2CES1LMNA
SCHEMBL29983601 0.81 LTA4H (0.70) LTA4HCES2CES1LMNASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835412-B2 Isoxazolidine derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20120238531-A1 ISOXAZOLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2012-09-20 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 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 (2 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-20120238531-A1 ISOXAZOLIDINE DERIVATIVES IL5, TSLP, LTB4R2 S1PR1 2789/4885LTA4H 19/4885CES2 4180/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 S1PR1 1156/4885LTA4H 3877/4885CES2 1262/4885

“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.