SCHEMBL16488490

SCHEMBL16488490

C=CC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
APP P05067 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL19850829 0.96 CYP3A4 (0.33) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL13614954 0.90 CYP3A4 (0.33) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL18392484 0.89 CYP3A4 (0.36) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL12656044 0.88
SCHEMBL12626299 0.87
SCHEMBL18193782 0.86 FASN (0.30) CYP3A4CYP2C9APP
SCHEMBL12975887 0.86 HDAC2 (0.30)
SCHEMBL12975985 0.86 HDAC2 (0.30)
SCHEMBL13615007 0.85 CYP3A4 (0.34) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL19850840 0.85 NPC1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457869-B2 Liquid crystal composition and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2019-10-29 US disclosed
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-10174254-B2 Nematic liquid crystal composition and liquid crystal display element using the same DIC CORPORATION (JP) 2019-01-08 US disclosed
US-20180037818-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-02-08 US disclosed
EP-2837670-B1 FLUOROBIPHENYL-CONTAINING COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2017-09-27 EP disclosed
US-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20160319195-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160319195-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-9441160-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2016-09-13 US disclosed
US-9441160-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2016-09-13 US disclosed
US-9181478-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2015-11-10 US disclosed
US-9181478-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2015-11-10 US disclosed
US-20150291881-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-10-15 US disclosed
US-20150291881-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-10-15 US disclosed
US-20150252263-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-09-10 US disclosed
US-20150252263-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-09-10 US disclosed
US-20150053891-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-02-26 US disclosed
US-20150053891-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-02-26 US disclosed
EP-2837670-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC Corporation (JP) 2015-02-18 EP 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-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION GPX1, LPO, SCO2 CYP3A4 1887/4885CYP2C9 1309/4885APP 2393/4885

“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.