SCHEMBL12736979

SCHEMBL12736979

CCOc1ccc(-c2ccc(OCc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.40
▸ FFAR1 O14842 2/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ CACNA1C Q13936 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ACACA Q13085 1/20 0.33
▸ GYS1 P13807 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ HMOX1 P09601 1/20 0.33
▸ NMT1 P30419 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
SCHEMBL12740453 0.94 FFAR4 (0.40) FFAR4FFAR1NR1H4PPARDCACNA1C
SCHEMBL12736980 0.92 FFAR4 (0.41) FFAR4FFAR1NR1H4HTR6KCNH2
SCHEMBL12736966 0.91 FFAR4 (0.40) FFAR4FFAR1NR1H4PPARDCACNA1C
SCHEMBL14766222 0.91 FFAR4 (0.40) FFAR4FFAR1NR1H4PPARDCACNA1C
SCHEMBL13586481 0.91 FFAR4 (0.40) FFAR4FFAR1NR1H4PPARDCACNA1C
SCHEMBL12736976 0.90 FFAR4 (0.40) FFAR4FFAR1NR1H4
SCHEMBL12736974 0.90 FFAR4 (0.41) FFAR4FFAR1NR1H4PPARDHTR6
SCHEMBL12736984 0.89 FFAR4 (0.39) FFAR4
SCHEMBL12736982 0.89 FFAR4 (0.39) FFAR4
SCHEMBL12736983 0.89 FFAR4 (0.39) FFAR4

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 FFAR4 546/4885FFAR1 247/4885NR1H4 1534/4885

“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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