SCHEMBL16080751

SCHEMBL16080751

OCC1CCC(c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.45
ESR1 P03372 6/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.41
KDM1A O60341 2/20 0.34
GRIN2B Q13224 1/20 0.34
PGR P06401 2/20 0.33
MAOB P27338 1/20 0.33
P2RY14 Q15391 1/20 0.33
GCGR P47871 1/20 0.33
MAPK1 P28482 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
USP30 Q70CQ3 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL8101981 0.85 ALDH1A1 (0.37) GRIN2BPGRGCGRMAPK1HTR2A
SCHEMBL9008497 0.85 PGR (0.33) CYP3A4KDM1AGRIN2BPGRMAOB
SCHEMBL18458568 0.85 HTR2C (0.41) KDM1AGRIN2BPGRMAOBHTR2A
SCHEMBL8101984 0.85 ALDH1A1 (0.37) GRIN2BPGRGCGRMAPK1HTR2A
SCHEMBL9008501 0.85 PGR (0.33) CYP3A4KDM1AGRIN2BPGRMAOB
SCHEMBL28710455 0.84 ESR2 (0.58) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL7936157 0.83 CYP2C9 (0.42) ESR2CYP2C9PGRGCGRMAPK1
SCHEMBL7936155 0.83 CYP2C9 (0.42) ESR2CYP2C9PGRGCGRMAPK1
SCHEMBL18800297 0.82 HTR2A (0.38) KDM1AGRIN2BPGRHTR2AHTR2C
SCHEMBL16258085 0.82 ALDH1A1 (0.35) GRIN2BPGRGCGRMAPK1HTR2A

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 ESR2 2052/4885ESR1 1750/4885CYP3A4 1344/4885

“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.