SCHEMBL3245904

SCHEMBL3245904

Fc1cc(-c2cccc(-c3cc(F)c(F)c(F)c3)c2O[Al](Oc2c(-c3cc(F)c(F)c(F)c3)cccc2-c2cc(F)c(F)c(F)c2)Oc2c(-c3cc(F)c(F)c(F)c3)cccc2-c2cc(F)c(F)c(F)c2)cc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
AR P10275 1/20 0.30
AKR1C3 P42330 1/20 0.30
CD274 Q9NZQ7 2/20 0.30

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
SCHEMBL3233813 0.83 HSD17B1 (0.37) AKR1C3CD274
SCHEMBL3243159 0.76 SLC6A4 (0.40)
SCHEMBL17840122 0.74 FEN1 (0.42) CHRM2CHRM1CHRM3ARAKR1C3
SCHEMBL76294 0.73 ALDH1A1 (0.41) CD274
SCHEMBL2132813 0.72 FEN1 (0.41) CHRM2CHRM1CHRM3ARAKR1C3
SCHEMBL2532136 0.71 AR (0.40) ARAKR1C3
SCHEMBL30665737 0.70 PTPRC (0.48)
SCHEMBL13439489 0.70 PTPRC (0.48)
SCHEMBL28453119 0.69 FFAR4 (0.48) FFAR4CD274
SCHEMBL2132817 0.67 RPS6KA3 (0.40) CHRM2CHRM1CHRM3AKR1C3

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 FFAR4 3704/4885CHRM2 1161/4885CHRM1 676/4885

“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.