SCHEMBL12740914

SCHEMBL12740914

CCCCCCCOc1ccc(OCc2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.38
▸ FFAR1 O14842 9/20 0.36
▸ PPARD Q03181 6/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.34
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ F10 P00742 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
SCHEMBL12740915 1.00 PTPN11 (0.38) PTPN11FFAR1PPARDS1PR1S1PR3
SCHEMBL12740916 1.00 PTPN11 (0.38) PTPN11FFAR1PPARDS1PR1S1PR3
SCHEMBL12740913 0.99 FFAR1 (0.37) PTPN11FFAR1PPARDS1PR1S1PR3
SCHEMBL12740912 0.97 FFAR1 (0.38) PTPN11FFAR1PPARDS1PR1S1PR3
SCHEMBL12740876 0.96 FFAR1 (0.36) PTPN11FFAR1PPARDS1PR1S1PR3
SCHEMBL12740877 0.96 FFAR1 (0.36) PTPN11FFAR1PPARDS1PR1S1PR3
SCHEMBL12740875 0.96 FFAR1 (0.36) PTPN11FFAR1PPARDS1PR1S1PR3
SCHEMBL12740874 0.95 FFAR1 (0.37) PTPN11FFAR1PPARDFFAR4F10
SCHEMBL12740873 0.94 FFAR1 (0.38) FFAR1PPARDFFAR4F10
SCHEMBL12736451 0.93 PTPN11 (0.38) PTPN11FFAR1PPARDS1PR1S1PR3

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 PTPN11 3889/4885FFAR1 247/4885PPARD 3762/4885

“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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