SCHEMBL16038271

SCHEMBL16038271

CCCC1CCC(O)(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
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
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
FYN P06241 1/20 0.35
CHRM3 P20309 1/20 0.32
CYP2C9 P11712 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL12976250 0.91 OPRM1 (0.43) OPRM1OPRK1OPRL1CHRNA1CHRNG
SCHEMBL2885461 0.91 OPRM1 (0.43) OPRM1OPRK1OPRL1CHRNA1CHRNG
SCHEMBL7859980 0.89 OPRM1 (0.36) OPRM1OPRK1OPRL1CHRNA1CHRNG
SCHEMBL9346754 0.88 OPRM1 (0.38) OPRM1OPRK1OPRL1CHRNA1CHRNG
SCHEMBL9346757 0.88 OPRM1 (0.38) OPRM1OPRK1OPRL1CHRNA1CHRNG
SCHEMBL2856214 0.85 OPRL1 (0.54) OPRM1OPRK1OPRL1CHRNA1CHRNB1
SCHEMBL28514809 0.81 OPRM1 (0.37) OPRM1OPRK1OPRL1
SCHEMBL9346748 0.79 OPRM1 (0.34) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10014989 0.78 OPRM1 (0.39) OPRM1OPRK1OPRL1FYNCYP2C9
SCHEMBL9827270 0.78 OPRM1 (0.47) OPRM1OPRK1OPRL1CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326434-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 US disclosed
US-20160326434-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 US disclosed
CN-103717563-B There is the compound of 2-fluorophenyl oxygen methylmethane structure DIC CORP. (JP) 2015-09-16 CN disclosed
US-9079836-B2 Compound having 2-fluorophenyloxymethane structure, a method for preparing the same, a liquid crystal composition and a liquid crystal device DIC CORPORATION (JP) 2015-07-14 US disclosed
US-9079836-B2 Compound having 2-fluorophenyloxymethane structure, a method for preparing the same, a liquid crystal composition and a liquid crystal device DIC CORPORATION (JP) 2015-07-14 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-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 US disclosed
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 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 (3 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-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE INF2, CFL1, CFD OPRM1 1682/4885OPRK1 3075/4885OPRL1 2434/4885
US-20140275577-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE PIK3CD, TEC, PIK3C3 OPRM1 1674/4885OPRK1 2833/4885OPRL1 2882/4885
US-20160326434-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME LEF1, AFF1, AFF2 OPRM1 750/4885OPRK1 1276/4885OPRL1 1330/4885

“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.