SCHEMBL3243159

SCHEMBL3243159

Fc1ccc(-c2cccc(-c3ccc(F)cc3)c2O[Al](Oc2c(-c3ccc(F)cc3)cccc2-c2ccc(F)cc2)Oc2c(-c3ccc(F)cc3)cccc2-c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
MAPK14 Q16539 3/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL76294 0.80 ALDH1A1 (0.41) MAP4K4CSF1RFGFR1LTKKDR
SCHEMBL3233813 0.79 HSD17B1 (0.37) STAT3
SCHEMBL3245904 0.76 FFAR4 (0.33)
SCHEMBL3246195 0.73 GPR84 (0.45) MAPK14NR4A2ENPP1GCGR
SCHEMBL28314094 0.69 SLC6A4 (0.46) SLC6A4SLC6A3PTGS2PTGS1GSK3B
SCHEMBL1005911 0.69 SLC6A4 (0.44) SLC6A4SLC6A3PTGS2PTGS1MAPK14
SCHEMBL1882609 0.68 L3MBTL1 (0.47) SLC6A4SLC6A3PTGS2MAPK14FGFR1
SCHEMBL27649740 0.67 PTGS2 (0.57) SLC6A4SLC6A3PTGS2PTGS1MAPK14
SCHEMBL17599648 0.67 SLC6A4 (0.47) SLC6A4SLC6A3PTGS2PTGS1NR4A2
SCHEMBL1266377 0.67 ENPP1 (0.45) SLC6A4SLC6A3PTGS2PTGS1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225163-B1 Process for producing isopulegol TAKASAGO PERFUMERY CO LTD (JP) 2010-07-28 EP disclosed
US-6774269-B2 CYCLIZATION OF CITRONELLAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-10 US disclosed
US-20020133046-A1 Process for producing isopulegol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-19 US disclosed
EP-1225163-A2 Process for producing isopulegol Takasago International Corporation (JP) 2002-07-24 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 (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-20020133046-A1 Process for producing isopulegol ACSL3, ACSL1, ACSL6 SLC6A4 4715/4885SLC6A3 4857/4885PTGS2 665/4885

“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.