SCHEMBL14827136

SCHEMBL14827136

OBOc1cc(F)c(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL19886496 0.82 TUBB1 (0.35) CA1CA2
SCHEMBL10015010 0.82
SCHEMBL19412417 0.81 HDAC1 (0.36)
SCHEMBL17806151 0.80 MAOB (0.43) MAOB
SCHEMBL25174870 0.80 TRPV4 (0.32)
SCHEMBL177480 0.79 CES2 (0.35) CES2CES1
SCHEMBL3439551 0.77 CA12 (0.39) CES2CES1CA1
SCHEMBL14551855 0.76 MAOB (0.40) CES2CES1MAOB
SCHEMBL25174423 0.76 TRPV4 (0.47)
SCHEMBL28031630 0.75 CA1 (0.34) CES2CES1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040999-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-08-07 US disclosed
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS AMGEN INC. (US) 2018-02-22 US disclosed
US-20170362505-A1 COMPOUNDS HAVING A C-C TRIPLE BOND MERCK PATENT GMBH (DE) 2017-12-21 US disclosed
US-9777217-B2 Compounds having a C—C triple bond MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-20170210992-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-07-27 US disclosed
US-9657230-B2 Alkenyl dioxane compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-9611429-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2017-04-04 US disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-09-29 US disclosed
US-20160122648-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2016-05-05 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-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-8586803-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-04 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 (6 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-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, HAX1 CES2 1742/4885CES1 949/4885CA1 444/4885
US-20140275577-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE PIK3CD, TEC, PIK3C3 CES2 1522/4885CES1 3100/4885CA1 1789/4885
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE DDT, BRAF, CFAP410 CES2 1734/4885CES1 3484/4885CA1 387/4885
US-20170362505-A1 COMPOUNDS HAVING A C-C TRIPLE BOND CCNC, AURKC, MCM3 CES2 3250/4885CES1 4625/4885CA1 165/4885
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS TRPV1, TRPA1, KCNJ11 CES2 1097/4885CES1 477/4885CA1 1692/4885
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 CES2 2028/4885CES1 1405/4885CA1 1455/4885

“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.