SCHEMBL8932743

SCHEMBL8932743

CCOc1ccc(-c2ccc(-c3ccc(C=O)cc3F)cc2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.48
▸ TACR2 P21452 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ TUBB1 Q9H4B7 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FDPS P14324 1/20 0.39

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
SCHEMBL18733594 0.90 ALDH1A1 (0.51) ALDH1A1TACR2KDM4ETUBB1HPGD
SCHEMBL1242705 0.90 DRD1 (0.48) ALDH1A1TACR2KDM4EDRD2DRD1
SCHEMBL22269634 0.89 DRD1 (0.47) ALDH1A1TACR2KDM4EDRD2DRD1
SCHEMBL13264329 0.85 TUBB1 (0.40) ALDH1A1KDM4ETUBB1HPGDL3MBTL1
SCHEMBL12907042 0.85 TUBB1 (0.46) ALDH1A1KDM4ETUBB1HPGDL3MBTL1
SCHEMBL18509967 0.83 FGFR2 (0.39) ALDH1A1KDM4ETUBB1HPGDL3MBTL1
SCHEMBL2585951 0.81 ALDH1A1 (0.60) ALDH1A1TACR2KDM4ETUBB1HPGD
SCHEMBL18733829 0.80 LMNA (0.41) ALDH1A1L3MBTL1MAPTFGFR1FGFR2
SCHEMBL8932626 0.79 HPGD (0.41) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL21609904 0.79 FGFR2 (0.44) KDM4EDRD3HPGDL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 — — 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 ALDH1A1 3844/4885TACR2 3019/4885KDM4E 1068/4885

“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.

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