SCHEMBL12719296

SCHEMBL12719296

C=CCCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MAOB P27338 2/20 0.34
▸ ALDH2 P05091 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL12822069 0.96 FFAR1 (0.35) FFAR1FFAR4MAOBALDH2MAOA
SCHEMBL12822966 0.95 ACACA (0.35) FFAR1FFAR4MAOBMEN1KMT2A
SCHEMBL12823072 0.92 S1PR1 (0.33) FFAR1FFAR4MEN1KMT2AS1PR1
SCHEMBL10303250 0.91 FFAR1 (0.35) FFAR1FFAR4MAOBMEN1KMT2A
SCHEMBL12719083 0.90 S1PR1 (0.38) FFAR1FFAR4MAOBALDH2MAOA
SCHEMBL12823853 0.89 MEN1 (0.43) FFAR1FFAR4MAOBMEN1KMT2A
SCHEMBL14766950 0.88 FFAR1 (0.40) FFAR1FFAR4MAOBALDH2MAOA
SCHEMBL12821964 0.88 MEN1 (0.34) FFAR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12719157 0.88 MEN1 (0.34) FFAR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12822692 0.88 S1PR1 (0.40) FFAR1FFAR4MAOBALDH2MAOA

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 3 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 247/4885FFAR4 546/4885MAOB 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.

Send feedback