SCHEMBL12823407

SCHEMBL12823407

C=CCOc1ccc(-c2ccc(OCc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 5/20 0.38
▸ GYS1 P13807 3/20 0.36
▸ ACACA Q13085 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ MGAM O43451 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ SI P14410 3/20 0.33
▸ MGAM2 Q2M2H8 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ FFAR1 O14842 2/20 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
SCHEMBL12718967 0.95 FFAR4 (0.38) FFAR4GYS1ACACAMAOAMAOB
SCHEMBL12821761 0.91 FFAR4 (0.37) FFAR4ACACAMAOAMAOBSCN3A
SCHEMBL12717037 0.90 FFAR4 (0.37) FFAR4GYS1MAOAMAOBMEN1
SCHEMBL12736985 0.89 FFAR4 (0.38) FFAR4GYS1ACACAMAOAMAOB
SCHEMBL12823082 0.89 FFAR4 (0.40) FFAR4ACACAMAOAMAOBSCN3A
SCHEMBL12823427 0.88 GYS1 (0.36) FFAR4GYS1MAOAMAOBCYP2D6
SCHEMBL12719381 0.88 GYS1 (0.36) FFAR4GYS1MAOAMAOBCYP2D6
SCHEMBL12823167 0.87 GYS1 (0.38) FFAR4GYS1MAOAMAOBNR1H4
SCHEMBL14766028 0.87 FFAR4 (0.37) FFAR4GYS1ACACAMAOBMEN1
SCHEMBL12716864 0.86 FFAR1 (0.37) FFAR4GYS1MAOAMAOBMEN1

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 FFAR4 546/4885GYS1 4252/4885ACACA 2882/4885

“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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