SCHEMBL12735147

SCHEMBL12735147

CCCCCOc1ccc(C2CCC(CCc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL12735159 0.99 S1PR1 (0.33) S1PR1FFAR4S1PR4S1PR3S1PR5
SCHEMBL12735154 0.99 S1PR1 (0.33) S1PR1FFAR4S1PR4S1PR3S1PR5
SCHEMBL12735156 0.99 S1PR1 (0.33) S1PR1FFAR4S1PR4S1PR3S1PR5
SCHEMBL12735144 0.97 FFAR4 (0.34) S1PR1FFAR4KDM1AFPR2PPARD
SCHEMBL14765936 0.91 FFAR4 (0.38) S1PR1FFAR4KDM1APPARD
SCHEMBL12735142 0.91 KDM1A (0.40) FFAR4MAPTALDH1A1GAAKDM1A
SCHEMBL14765940 0.89 FFAR4 (0.37) S1PR1FFAR4KDM1AFPR2PPARD
SCHEMBL12735167 0.89 FFAR4 (0.31) FFAR4KDM1A
SCHEMBL12735163 0.88 FFAR4 (0.30) FFAR4
SCHEMBL14765984 0.88 KDM1A (0.38) FFAR4KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 S1PR1 1190/4885FFAR4 546/4885S1PR4 1422/4885

“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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