SCHEMBL18486758

SCHEMBL18486758

Fc1cc(C#Cc2ccc(C3CCCCC3)cc2)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
APP P05067 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P2RY14 Q15391 1/20 0.34
ESR2 Q92731 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DEGS1 O15121 1/20 0.34
BACE1 P56817 1/20 0.33
NOTUM Q6P988 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL8768388 0.98 P2RY14 (0.35) CYP3A4CYP2C9APPHSP90AA1GAA
SCHEMBL8767914 0.89 P2RY14 (0.33) P2RY14ESR2
SCHEMBL8767510 0.85 GRM5 (0.41) CYP3A4CYP2C9APPHSP90AA1GAA
SCHEMBL2741543 0.84 ESR2 (0.50) CYP3A4CYP2C9P2RY14ESR2
SCHEMBL23510979 0.83 CYP3A4 (0.34) CYP3A4CYP2C9APPHSP90AA1GAA
SCHEMBL25919448 0.81 CYP3A4 (0.34) CYP3A4CYP2C9APPHSP90AA1GAA
SCHEMBL26373090 0.81 CYP3A4 (0.32) CYP3A4CYP2C9APPHSP90AA1GAA
SCHEMBL17851229 0.80 ESR2 (0.37) CYP3A4CYP2C9MAPTKMT2AP2RY14
SCHEMBL18857284 0.78 PAX8 (0.40) CYP3A4CYP2C9APPHSP90AA1GAA
SCHEMBL6462913 0.78 CYP2C9 (0.47) CYP3A4CYP2C9MAPTKMT2AP2RY14

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-20230313044-A1 COMPOUND, COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND DEVICE DIC CORPORATION (JP) 2023-10-05 US disclosed
US-11008514-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2021-05-18 US disclosed
US-20210009901-A1 Liquid-Crystal Display Devices Containing Polymerisable Compounds MERCK PATENT GMBH (DE) 2021-01-14 US disclosed
US-10738240-B2 Thiadiazoloquinoxaline derivatives MERCK PATENT GMBH (DE) 2020-08-11 US disclosed
US-10273409-B2 Liquid crystal displays and liquid crystalline media with homeotropic alignment MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2019-04-30 US disclosed
US-20180223187-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180179446-A1 LIQUID CRYSTAL MEDIUM CONTAINING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2018-06-28 US disclosed
US-20180142153-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
US-20180100104-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-04-12 US disclosed
US-20180022997-A1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-01-25 US disclosed
US-20170037315-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 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-20230313044-A1 COMPOUND, COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND DEVICE NLK, TTI2, LBR CYP3A4 4490/4885CYP2C9 4004/4885APP 310/4885

“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.