SCHEMBL593140

SCHEMBL593140

O=C(O)c1cc(F)cc(OC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
EPHX2 P34913 8/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNH2 Q12809 1/20 0.44
HCAR1 Q9BXC0 1/20 0.43
MAOB P27338 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
APP P05067 1/20 0.41
PARP10 Q53GL7 1/20 0.41
GRM5 P41594 1/20 0.40
FAAH O00519 1/20 0.40
KAT6A Q92794 1/20 0.39

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
SCHEMBL594232 0.98 KMT2A (0.47) KMT2AEPHX2PTGS1PTGS2FFAR4
SCHEMBL1262944 0.81 EPHX2 (0.47) KMT2AEPHX2PTGS1PTGS2MAOB
SCHEMBL19404283 0.80 BCL9 (0.54) KCNH2
SCHEMBL21609784 0.79 EPHX2 (0.46) KMT2AEPHX2PARP10FAAH
SCHEMBL30044135 0.79 TPMT (0.55) KMT2AEPHX2PTGS1PTGS2FFAR4
SCHEMBL26146673 0.79 TPMT (0.55) KMT2AEPHX2PTGS1PTGS2FFAR4
SCHEMBL28014799 0.79 EPHX2 (0.42) KMT2AEPHX2PTGS1PTGS2FFAR4
SCHEMBL932285 0.77 KMT2A (0.45) KMT2AEPHX2PTGS1PTGS2FFAR4
SCHEMBL9005535 0.76 EPHX2 (0.57) KMT2AEPHX2OPRM1OPRK1KCNH2
SCHEMBL931638 0.76 EPHX2 (0.57) KMT2AEPHX2OPRM1OPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
WO-2006010082-A1 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-01-26 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 (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-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK7, MAP3K1 KMT2A 4105/4885EPHX2 1807/4885PTGS1 118/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 KMT2A 4205/4885EPHX2 2201/4885PTGS1 115/4885

“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.