SCHEMBL864151

SCHEMBL864151

Cc1ccc(CF)cc1CF

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL13698774 0.86 TRPA1 (0.40) TAAR1PTGS1PTGS2
SCHEMBL13540959 0.81 TAAR1 (0.60) TAAR1
SCHEMBL2622769 0.80 ALDH1A1 (0.40) ESR1ESR2PTGS1PTGS2
SCHEMBL7852920 0.78 TAAR1 (0.56) TAAR1
SCHEMBL13862873 0.76 DAO (0.45) ESR1ESR2SLC6A2SLC6A4PTGS1
SCHEMBL16385035 0.76 SLC6A4 (0.40) TAAR1SLC6A2SLC6A4PTGS1PTGS2
SCHEMBL19735194 0.74 CYP3A4 (0.44) ESR1ESR2
SCHEMBL13545542 0.74 TSHR (0.46) ESR1ESR2SLC6A2PTGS1PTGS2
SCHEMBL9073026 0.74 CYP3A4 (0.46) SLC6A4
SCHEMBL12167672 0.74 CYP3A4 (0.46) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077126-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method CENTRAL GLASS COMPANY, LIMITED (JP) 2012-03-29 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-20120077126-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method FRG1, AFF2, FBXL19 TAAR1 1676/4885ESR1 821/4885ESR2 1336/4885

“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.