SCHEMBL16038459

SCHEMBL16038459

CCCc1ccc(-c2cc(F)c(O)c(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
RARB P10826 2/20 0.48
RARA P10276 1/20 0.48
RARG P13631 1/20 0.48
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALOX5 P09917 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL19829088 0.93 MCL1 (0.44) MCL1RARBRARARARGESR1
SCHEMBL16584918 0.89 MCL1 (0.47) MCL1RARBRARARARGESR1
SCHEMBL25797818 0.86 RARB (0.65) RARBRARARARGESR1AKR1C2
SCHEMBL23512339 0.85 ESR1 (0.47) RARBRARARARGESR1ESR2
SCHEMBL14525745 0.85 RARB (0.46) MCL1RARBRARARARGCNR1
SCHEMBL9764255 0.85 RARB (0.46) MCL1RARBRARARARGCNR1
SCHEMBL16258127 0.85 RARB (0.46) MCL1RARBRARARARGCNR1
SCHEMBL2946926 0.85 MCL1 (0.43) MCL1RARBRARARARGESR1
SCHEMBL10435290 0.84 MCL1 (0.59) MCL1RARBRARARARGESR1
SCHEMBL19844721 0.83 RARB (0.45) MCL1RARBRARARARGCNR1

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
US-8916718-B2 Compound having 2-fluorophenyloxymethane structure DIC CORPORATION (JP) 2014-12-23 US disclosed
US-8916718-B2 Compound having 2-fluorophenyloxymethane structure DIC CORPORATION (JP) 2014-12-23 US disclosed
US-20140275577-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-09-18 US disclosed
US-20140275577-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-09-18 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-20140275577-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE PIK3CD, TEC, PIK3C3 MCL1 4242/4885RARB 4494/4885RARA 3939/4885

“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.