SCHEMBL13614632

SCHEMBL13614632

Fc1cc(C2CCCCC2)ccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 2/20 0.48
APP P05067 2/20 0.48
PDK2 Q15119 1/20 0.40
ACMSD Q8TDX5 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
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
BACE1 P56817 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMO O15229 1/20 0.35
HTR1D P28221 1/20 0.35
AKR1A1 P14550 1/20 0.35

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
SCHEMBL13761305 0.91 CYP3A4 (0.41) CYP3A4CYP2C9APPPDK2ACMSD
SCHEMBL11891678 0.90 CYP3A4 (0.52) CYP3A4CYP2C9APPPDK2S1PR1
SCHEMBL18385875 0.89 CYP3A4 (0.50) CYP3A4CYP2C9APPPDK2S1PR1
SCHEMBL18392484 0.87 CYP3A4 (0.36) CYP3A4CYP2C9APPPDK2S1PR1
SCHEMBL9501457 0.86 CYP3A4 (0.60) CYP3A4CYP2C9APPPDK2ACMSD
SCHEMBL18411541 0.85 CYP3A4 (0.50) CYP3A4CYP2C9APPPDK2ACMSD
SCHEMBL19097887 0.84 CYP3A4 (0.38) CYP3A4CYP2C9APPS1PR1S1PR4
SCHEMBL91870 0.84 FASN (0.43) CYP3A4CYP2C9APPPDK2CYP2D6
SCHEMBL20083445 0.84 KDM1A (0.38) CYP3A4CYP2C9APPPDK2CYP2D6
SCHEMBL21525831 0.84 CYP3A4 (0.49) CYP3A4CYP2C9APPPDK2ACMSD

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 US disclosed
US-11739267-B2 LC medium MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-03-02 US disclosed
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20230056437-A1 AZO DYE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-11359142-B2 Liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2022-06-14 US disclosed
US-11352560-B2 Liquid crystal mixture and liquid crystal display MERCK PATENT GMBH (DE) 2022-06-07 US disclosed
US-9737854-B2 Process for the purification of a liquid-crystal mixture MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
EP-2806010-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2017-07-26 EP disclosed
US-9701905-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-07-11 US disclosed
US-9657231-B2 Liquid crystal medium and high-frequency components containing the same MERCK PATENT GMBH (DE) 2017-05-23 US disclosed
US-20170137713-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
EP-2818533-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT EMPLOYING SAME DAINIPPON INK & CHEMICALS (JP) 2017-05-17 EP disclosed
US-9650573-B2 Liquid crystalline medium and liquid crystal device MERCK PATENT GMBH (DE) 2017-05-16 US disclosed
US-9611428-B2 Liquid-crystalline medium and electro-optical liquid-crystal display MERCK PATENT GMBH (DE) 2017-04-04 US disclosed
US-20170037315-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 US disclosed
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 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 (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-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY CXCR1, PYM1, F11 CYP3A4 1706/4885CYP2C9 1963/4885APP 161/4885
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 CYP3A4 1991/4885CYP2C9 1308/4885APP 624/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 CYP3A4 4420/4885CYP2C9 4206/4885APP 1021/4885

“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.