SCHEMBL17075741

SCHEMBL17075741

Oc1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.65
ESR2 Q92731 14/20 0.65
HSD17B1 P14061 3/20 0.61
HSD17B2 P37059 3/20 0.61
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48

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
SCHEMBL17083195 0.91 ESR1 (0.54) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL17083204 0.83 ESR1 (0.64) ESR1ESR2HSD17B1HSD17B2
SCHEMBL16982202 0.83 ESR1 (0.74) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL83629 0.82 ESR1 (0.43) ESR1ESR2HSD17B1HSD17B2
SCHEMBL17083194 0.81 ESR1 (0.40) ESR1ESR2HSD17B1HSD17B2
SCHEMBL3926652 0.79 ESR2 (1.00) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL1815385 0.79 ESR1 (0.67) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL17083196 0.78 PDE3B (0.39) ESR1ESR2HSD17B1HSD17B2
SCHEMBL20202922 0.78 HSD17B1 (0.38) ESR1ESR2HSD17B1HSD17B2
SCHEMBL3933773 0.78 ESR2 (0.89) ESR1ESR2HSD17B1HSD17B2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
US-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
US-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 US disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 US disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 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-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME TNK1, CTNND1, FLI1 ESR1 2506/4885ESR2 3203/4885HSD17B1 441/4885

“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.