SCHEMBL18458593

SCHEMBL18458593

CCC(N)C1CCC(c2ccc(-c3ccc(C4CCC(N)CC4)cc3F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
FASN P49327 1/20 0.37
FEN1 P39748 2/20 0.33
DPP4 P27487 9/20 0.32
DPP7 Q9UHL4 5/20 0.32
DPP9 Q86TI2 5/20 0.32
DPP8 Q6V1X1 3/20 0.32
KDM1A O60341 2/20 0.31
MAOB P27338 1/20 0.31
ALOX5AP P20292 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 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
SCHEMBL18458840 0.88 APP (0.36) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL24372634 0.87 CYP2C9 (0.43) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL18866787 0.87 FASN (0.41) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL22652082 0.86 FASN (0.41) APPCYP3A4CYP2C9SPHK1CYP2D6
SCHEMBL20209657 0.85 APP (0.36) APPCYP3A4CYP2C9SPHK1CYP2D6
SCHEMBL18458594 0.85 FASN (0.40) APPCYP3A4CYP2C9SPHK1CYP2D6
SCHEMBL18458822 0.85 SPHK1 (0.47) CYP3A4CYP2C9SPHK1KDM1AMAOB
SCHEMBL18458902 0.84 DPP4 (0.34) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL20209659 0.84 APP (0.36) APPCYP3A4CYP2C9SPHK1CYP2D6
SCHEMBL19619448 0.84 APP (0.38) APPCYP3A4CYP2C9CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345857-B2 Spontaneous alignment assistant for liquid crystal compositions DIC CORPORATION (JP) 2022-05-31 US disclosed
US-11326103-B2 Liquid crystal display device DIC CORPORATION (JP) 2022-05-10 US disclosed
US-20210223635-A1 METHOD FOR MANUFACTURING LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2021-07-22 US disclosed
US-20210071084-A1 SPONTANEOUS ALIGNMENT ASSISTANT FOR LIQUID CRYSTAL COMPOSITIONS DIC CORPORATION (JP) 2021-03-11 US disclosed
US-10927300-B2 Spontaneous alignment assistant for liquid crystal compositions DIC CORPORATION (JP) 2021-02-23 US disclosed
US-20210026206-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2021-01-28 US disclosed
US-20200354633-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-11-12 US disclosed
US-20200172811-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2020-06-04 US disclosed
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 US disclosed
US-10414979-B2 Composition and liquid crystal display device using the same DIC CORPORATION (JP) 2019-09-17 US disclosed
US-9822304-B2 Liquid crystal composition and liquid crystal display element containing the same DIC CORPORATION (JP) 2017-11-21 US disclosed
US-20170306231-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-10-26 US disclosed
US-20170253800-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-09-07 US disclosed
US-20170226420-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-20170210986-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2017-07-27 US disclosed
US-20170210989-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2017-07-27 US disclosed
US-9688913-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-06-27 US disclosed
US-9637684-B2 Composition and liquid crystal display element using same DIC CORPORATION (JP) 2017-05-02 US disclosed
US-9580654-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2017-02-28 US disclosed
US-20170029700-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-02-02 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-11345857-B2 Spontaneous alignment assistant for liquid crystal compositions VAC14, VAPA, SFN APP 1080/4885CYP3A4 4304/4885CYP2C9 4553/4885
US-20210071084-A1 SPONTANEOUS ALIGNMENT ASSISTANT FOR LIQUID CRYSTAL COMPOSITIONS VAC14, VAPA, SFN APP 1080/4885CYP3A4 4304/4885CYP2C9 4553/4885
US-10927300-B2 Spontaneous alignment assistant for liquid crystal compositions KTN1, KCNA1, KNTC1 APP 2148/4885CYP3A4 3865/4885CYP2C9 4406/4885

“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.