Sugi Predict

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SCHEMBL10301940

SCHEMBL10301940

CCCc1ccc(CCc2ccc(-c3ccc(CC)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.45
▸ RARA P10276 2/20 0.45
▸ RARG P13631 1/20 0.45
▸ MCL1 Q07820 1/20 0.39
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ MAOB P27338 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ CYP17A1 P05093 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
SCHEMBL10301937 0.95 RARB (0.44) RARBRARARARGMCL1HTR2A
SCHEMBL12735624 0.90 RARB (0.40) RARBRARARARGMCL1HTR2A
SCHEMBL6897375 0.89 RARB (0.40) RARBRARARARGMCL1HTR2A
SCHEMBL16377206 0.89 RARB (0.50) RARBRARARARGMCL1TAAR1
SCHEMBL10301941 0.88 RARB (0.46) RARBRARARARGMCL1HTR2A
SCHEMBL10301936 0.88 RARB (0.40) RARBRARARARGMCL1HTR2A
SCHEMBL17487629 0.88 RARB (0.40) RARBRARARARGMCL1HTR2A
SCHEMBL10301942 0.87 RARB (0.51) RARBRARARARGHTR2AHTR2C
SCHEMBL10301938 0.87 RARB (0.48) RARBRARARARGHTR2AHTR2C
SCHEMBL10301939 0.87 RARB (0.41) RARBRARARARGMCL1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — WO 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 RARB 3213/4885RARA 2510/4885RARG 3570/4885

“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.