SCHEMBL18503375

SCHEMBL18503375

Cc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CHKA P35790 1/20 0.37
KCNH2 Q12809 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAOB P27338 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
FDFT1 P37268 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP21A2 P08686 1/20 0.33
CYP11B1 P15538 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 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
SCHEMBL12993151 0.95 TAAR1 (0.42) CYP1A2CYP2A6TAAR1CHKAKCNH2
SCHEMBL19197845 0.87 HRH3 (0.37) PTGS1PTGS2HRH3CYP17A1
SCHEMBL19197050 0.87 CYP2A6 (0.36) CYP1A2CYP2A6TAAR1PTGS1PTGS2
SCHEMBL20373892 0.85 TAAR1 (0.39) CYP1A2CYP2A6TAAR1CHKAKCNH2
SCHEMBL12011031 0.83 CHKA (0.42) CYP1A2CYP2A6TAAR1CHKAKCNH2
SCHEMBL10301936 0.82 RARB (0.40) TAAR1PTGS1PTGS2MAOBCYP17A1
SCHEMBL27073675 0.81 P2RX7 (0.36) TAAR1
SCHEMBL18503372 0.81 CYP1A2 (0.39) CYP1A2CYP2A6TAAR1CHKAKCNH2
SCHEMBL19196920 0.81 CYP2A6 (0.36) CYP1A2CYP2A6TAAR1PTGS1PTGS2
SCHEMBL10301911 0.80 CHKA (0.38) CHKAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287272-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE DIC CORPORATION (JP) 2023-09-14 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-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 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-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
EP-3312257-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME Merck Patent GmbH (DE) 2018-04-25 EP 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 (4 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-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 CYP1A2 3597/4885CYP2A6 3564/4885TAAR1 271/4885
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.