SCHEMBL12823290

SCHEMBL12823290

C=CCOc1ccc(OCc2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.37
▸ PPARD Q03181 5/20 0.37
▸ MGAM O43451 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ SI P14410 3/20 0.37
▸ MGAM2 Q2M2H8 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL12719255 0.96 FFAR1 (0.39) FFAR1PPARDMGAMGAASI
SCHEMBL12717215 0.94 MGAM (0.36) FFAR1PPARDMGAMGAASI
SCHEMBL12823867 0.90 FFAR1 (0.36) FFAR1PPARDMAPTMRGPRX4
SCHEMBL12719196 0.90 GYS1 (0.40) FFAR1PPARDMGAMGAASI
SCHEMBL12716825 0.89 ERN1 (0.39) FFAR1PPARDMGAMGAASI
SCHEMBL10303127 0.89 MRGPRX4 (0.37) FFAR1MGAMGAASIMGAM2
SCHEMBL12822853 0.88 FFAR1 (0.38) FFAR1PPARDMAPTMAOB
SCHEMBL12823294 0.88 FFAR1 (0.45) FFAR1PPARDMRGPRX4
SCHEMBL12717326 0.87 LMNA (0.35) MGAMGAASIMGAM2MEN1
SCHEMBL12823859 0.87 LMNA (0.35) MGAMGAASIMGAM2MEN1

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 247/4885PPARD 3762/4885MGAM 4686/4885

“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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