SCHEMBL12822975

SCHEMBL12822975

C=CCCCOc1ccc(C2CCC(COc3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.37
▸ CNR2 P34972 3/20 0.32
▸ ACACB O00763 3/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ PPARD Q03181 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
SCHEMBL12822681 0.97 FFAR1 (0.37) FFAR1CNR2ACACBGPR119PPARD
SCHEMBL12822568 0.96 FFAR1 (0.37) FFAR1CNR2ACACBPPARD
SCHEMBL12823865 0.93 FFAR1 (0.38) FFAR1PPARD
SCHEMBL12823538 0.92 FFAR1 (0.38) FFAR1CNR2ACACBPPARD
SCHEMBL12823860 0.92 CNR2 (0.34) FFAR1CNR2CNR1
SCHEMBL12822976 0.92 CNR2 (0.34) FFAR1CNR2CNR1
SCHEMBL12823311 0.88 FFAR1 (0.39) FFAR1ACACBPPARD
SCHEMBL12822971 0.88 CNR2 (0.34) FFAR1CNR2CNR1
SCHEMBL12823392 0.88 CNR2 (0.34) FFAR1CNR2CNR1
SCHEMBL12822974 0.88 FFAR4 (0.32) FFAR1CNR2CNR1

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-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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 FFAR1 247/4885CNR2 686/4885ACACB 3260/4885

“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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