SCHEMBL13078055

SCHEMBL13078055

O=Cc1cc(F)cc(OC2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
EPHX2 P34913 2/20 0.38
HPGD P15428 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GRM5 P41594 3/20 0.36
PARP10 Q53GL7 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
APP P05067 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16247030 0.88 HPGD (0.42) HPGDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18003799 0.81 FFAR4 (0.41) FFAR4EPHX2HPGDPTGS1PTGS2
SCHEMBL28014799 0.80 EPHX2 (0.42) FFAR4EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL9913868 0.80 FFAR4 (0.44) FFAR4EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL18002523 0.80 GPR35 (0.38) FFAR4EPHX2HPGDGRIN2DGRIN3B
SCHEMBL18003236 0.80 POLB (0.40) FFAR4HPGDGRIN2DGRIN3BGRIN1
SCHEMBL18003628 0.79 FFAR4 (0.41) FFAR4EPHX2GRM5PARP10SLC6A2
SCHEMBL16406695 0.79 FFAR1 (0.37) FFAR4HPGDGRIN2DGRIN3BGRIN1
SCHEMBL5610574 0.79 CYP1A1 (0.42) PTGS2POLBPDGFRBPDGFRA
SCHEMBL16397642 0.78 POLB (0.38) FFAR4HPGDGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 FFAR4 3652/4885EPHX2 2201/4885HPGD 260/4885

“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.