SCHEMBL12741018

SCHEMBL12741018

CCCCCOc1ccc(OCc2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.43
FFAR1 O14842 12/20 0.42
PPARD Q03181 6/20 0.42
FFAR4 Q5NUL3 1/20 0.42
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
MAPK1 P28482 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL12741026 0.99 PTPN11 (0.44) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12741022 0.99 PTPN11 (0.44) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12741024 0.99 PTPN11 (0.44) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12741016 0.98 FFAR1 (0.43) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12740983 0.96 FFAR1 (0.43) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12740987 0.94 FFAR1 (0.42) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12740986 0.94 FFAR1 (0.42) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12740985 0.94 FFAR1 (0.42) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12736569 0.94 S1PR1 (0.43) PTPN11FFAR1PPARDFFAR4S1PR1
SCHEMBL12740982 0.93 FFAR1 (0.44) FFAR1PPARDFFAR4S1PR1S1PR3

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.