SCHEMBL15420336

SCHEMBL15420336

OC1(c2cc(F)cc(F)c2)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
SLC6A3 Q01959 3/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
NPC1 O15118 2/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.34
SLC6A4 P31645 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL18100606 0.85 CHRNA1 (0.38) HDAC3HDAC1HDAC2HDAC6SLC6A3
SCHEMBL23231962 0.84 CA12 (0.39) HDAC3HDAC1HDAC2HDAC6SLC6A3
SCHEMBL731991 0.83 OPRL1 (0.49) HDAC3HDAC1HDAC2HDAC6SLC6A3
SCHEMBL612754 0.81 OPRM1 (0.43) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7479848 0.79 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6SLC6A3
SCHEMBL14403245 0.78 DRD2 (0.39) SLC6A3SLC6A4OPRM1OPRK1OPRL1
SCHEMBL1720045 0.77 SLC6A3 (0.41) HDAC3HDAC1HDAC2HDAC6SLC6A3
Methoxymethane SCHEMBL9035457 0.76 OPRM1 (0.39) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL12077778 0.76 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6SLC6A3
SCHEMBL12078176 0.76 CA12 (0.36) HDAC3HDAC1HDAC2HDAC6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030347-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed
US-20180030347-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed
EP-3275971-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-01-31 EP disclosed
US-9605207-B2 Orthoester derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-03-28 US disclosed
US-9181484-B2 Compound having 2-fluorophenyloxymethane structure DIC CORPORATION (JP) 2015-11-10 US disclosed
US-9181484-B2 Compound having 2-fluorophenyloxymethane structure DIC CORPORATION (JP) 2015-11-10 US disclosed
US-20150087847-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2015-03-26 US disclosed
US-20150087847-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2015-03-26 US disclosed
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
EP-2690103-A1 ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2014-01-29 EP disclosed
US-20140021407-A1 ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 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 HDAC3 4654/4885HDAC1 4616/4885HDAC2 3914/4885

“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.