SCHEMBL12823812

SCHEMBL12823812

C=CCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 1/20 0.38
▸ CASR P41180 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ CA4 P22748 5/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ APP P05067 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FFAR1 O14842 3/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL12821219 0.96 CA4 (0.36) ACACACASRMAOBCA4CA12
SCHEMBL12719179 0.90 CYP2D6 (0.39) ACACACASRMAOBAPPCYP2C19
SCHEMBL10303342 0.89 APP (0.35) ACACACASRMAOBCA4CA12
SCHEMBL12823738 0.89 CASR (0.36) CASRMAOBCA4CA12CA9
SCHEMBL12822966 0.89 ACACA (0.35) ACACACASRMAOBCA4CA12
SCHEMBL12821275 0.87 S1PR1 (0.37) CASRCA4CA12CA9CA1
SCHEMBL14766862 0.86 S1PR1 (0.38) MAOBCYP2C19FFAR1ALDH2MAOA
SCHEMBL14767167 0.86 FFAR1 (0.42) MAOBFFAR1GSK3BBACE1PDCD1
SCHEMBL12740600 0.86 FFAR1 (0.41) MAOBFFAR1GSK3BBACE1PDCD1
SCHEMBL12823432 0.86 CYP2D6 (0.38) ACACACASRMAOBCA4CA12

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 ACACA 2882/4885CASR 2823/4885MAOB 3160/4885

“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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