SCHEMBL12907756

SCHEMBL12907756

CCCC(O)c1ccc(OCc2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 8/20 0.35
▸ F10 P00742 4/20 0.35
▸ MAOB P27338 4/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ MAOA P21397 2/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ S1PR1 P21453 1/20 0.31

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
SCHEMBL12907062 0.89 FFAR1 (0.37) FFAR1F10MAOBPPARDGRM5
SCHEMBL13586473 0.88 FFAR1 (0.38) FFAR1F10MAOBGRM5
SCHEMBL13654039 0.86 RARB (0.31) —
SCHEMBL12907051 0.85 FPR2 (0.32) —
SCHEMBL10303091 0.84 FFAR1 (0.39) FFAR1MAOBPPARDMAOAS1PR1
SCHEMBL10303134 0.84 FFAR1 (0.40) FFAR1MAOBPPARDMAOA
SCHEMBL10303262 0.83 MAOB (0.35) FFAR1F10MAOBMAOANR1H4
SCHEMBL12907723 0.83 FFAR1 (0.37) FFAR1F10MAOBGRM5MAOA
SCHEMBL12823807 0.83 FFAR1 (0.35) FFAR1F10MAOBMAOA
SCHEMBL13654000 0.82 PDE4D (0.36) FFAR1F10S1PR1

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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — WO 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 FFAR1 681/4885F10 737/4885MAOB 3725/4885

“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