SCHEMBL13235472

SCHEMBL13235472

CCCOc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.40
▸ GLA P06280 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ S1PR1 P21453 3/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ C3AR1 Q16581 1/20 0.34
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ MPL P40238 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GCGR P47871 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13235490 0.93 GLA (0.42) GLASMN1; SMN2S1PR1MPLALDH1A1
SCHEMBL13235487 0.91 RARB (0.42) CSNK2A1GLASMN1; SMN2S1PR1ALDH1A1
SCHEMBL2877758 0.90 FFAR4 (0.38) S1PR1GABRA1GABRB2MPLALOX5
SCHEMBL13235512 0.89 CSNK2A1 (0.40) CSNK2A1GLASMN1; SMN2S1PR1GABRA1
SCHEMBL9563721 0.87 CSNK2A1 (0.37) CSNK2A1S1PR1GABRA1GABRB2C3AR1
SCHEMBL9494738 0.87 CSNK2A1 (0.37) CSNK2A1S1PR1GABRA1GABRB2C3AR1
SCHEMBL13235481 0.87 RARB (0.43) GLASMN1; SMN2S1PR1ALDH1A1LMNA
SCHEMBL9563808 0.86 CSNK2A1 (0.38) CSNK2A1S1PR1GABRA1GABRB2C3AR1
SCHEMBL2883467 0.85 GABRA1 (0.43) GABRA1GABRB2MPLALOX5CYP11B1
SCHEMBL13235489 0.84 SMN1; SMN2 (0.40) CSNK2A1GLASMN1; SMN2S1PR1

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-7758931-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-20 — — US disclosed
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-10-22 — — US disclosed
US-7569258-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-08-04 — — 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-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CCND3, CCND1, SLFN12 CSNK2A1 577/4885GLA 3951/4885SMN1; SMN2 2343/4885

“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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