SCHEMBL18503372

SCHEMBL18503372

Cc1ccc(CCc2ccc(-c3ccc(C)c(F)c3F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
BACE1 P56817 1/20 0.38
CHKA P35790 2/20 0.38
FFAR1 O14842 2/20 0.38
KCNH2 Q12809 1/20 0.37
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
HRH3 Q9Y5N1 1/20 0.33
IDO1 P14902 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
SCHEMBL803112 0.89 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL17616206 0.88 RARB (0.38) CHKAPTGS2PTGS1
SCHEMBL803431 0.87 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL4549715 0.87 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL17548830 0.87 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL19798106 0.86 BACE1 (0.38) CYP1A2CYP2A6TAAR1FFAR4BACE1
SCHEMBL19196919 0.86 CYP2A6 (0.37) CYP1A2CYP2A6FFAR4BACE1FFAR1
SCHEMBL19197803 0.86 ESR1 (0.36) CYP1A2CYP2A6TAAR1FFAR4BACE1
SCHEMBL12172447 0.86 RARB (0.38)
SCHEMBL14211939 0.85 PTGS2 (0.39) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-20230287272-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE DIC CORPORATION (JP) 2023-09-14 US disclosed
US-20230272282-A1 LC MIXTURES WITH NEGATIVE DELTA EPSILONCONTAINING CC-4-V1 AND COB(S)-N-OM MERCK PATENT GMBH (DE) 2023-08-31 US disclosed
US-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound DIC CORPORATION (JP) 2023-08-29 US disclosed
US-11639327-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2023-05-02 US disclosed
US-20180208846-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME DIC CORPORATION (JP) 2018-07-26 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20180030346-A1 NEMATIC LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT MANUFACTURED USING SAME DIC CORPORATION (JP) 2018-02-01 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-20170218270-A1 LIQUID-CRYSTAL DISPLAY DIC CORPORATION (JP) 2017-08-03 US disclosed
US-20170218271-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-08-03 US disclosed
US-20170210988-A1 LIQUID-CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2017-07-27 US disclosed
US-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 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-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound OCIAD2, PKN2, SKP1 CYP1A2 2601/4885CYP2A6 1463/4885TAAR1 2597/4885
US-20180030346-A1 NEMATIC LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT MANUFACTURED USING SAME LBR, VSIR, KIF23 CYP1A2 4385/4885CYP2A6 4747/4885TAAR1 1295/4885
US-11639327-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display device using the same SKP1, PKN1, KTN1 CYP1A2 3295/4885CYP2A6 4156/4885TAAR1 3433/4885

“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.