SCHEMBL12740918

SCHEMBL12740918

C=CCCOc1ccc(OCc2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 14/20 0.34
▸ PPARD Q03181 13/20 0.34
▸ 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
▸ FEN1 P39748 3/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ PPARA Q07869 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
SCHEMBL12740879 0.96 FFAR1 (0.35) FFAR1PPARDF10PPARA
SCHEMBL12740919 0.96 FFAR1 (0.34) FFAR1PPARDHTR1ASLC6A2SLC6A4
SCHEMBL12736458 0.93 F10 (0.34) FFAR1PPARDHTR1ASLC6A2SLC6A4
SCHEMBL12740881 0.92 FFAR1 (0.35) FFAR1PPARDF10PPARA
SCHEMBL12740429 0.91 PPARD (0.35) FFAR1PPARDFEN1ALOX5APPPARA
SCHEMBL12740917 0.91 GYS1 (0.36) FFAR1PPARDHTR1ASLC6A2SLC6A4
SCHEMBL14767035 0.91 GABRA1 (0.34) FFAR1PPARDHTR1ASLC6A2SLC6A4
SCHEMBL12823085 0.90 FFAR1 (0.36) FFAR1PPARDF10PPARA
SCHEMBL12736463 0.90 F10 (0.34) FFAR1PPARDHTR1ASLC6A2SLC6A4
SCHEMBL12740878 0.89 GYS1 (0.39) FFAR1PPARDF10PPARA

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 FFAR1 247/4885PPARD 3762/4885HTR1A 484/4885

“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.

Send feedback