SCHEMBL12822977

SCHEMBL12822977

C=CCCCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MCL1 Q07820 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
PTGS2 P35354 2/20 0.34
PTPN11 Q06124 2/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
CA4 P22748 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
APP P05067 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 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
SCHEMBL12822657 0.96 APP (0.34) FFAR1FFAR4MCL1S1PR1S1PR3
SCHEMBL12719819 0.95 RARA (0.37) FFAR1FFAR4MCL1PTPN11RARA
SCHEMBL12822511 0.91 ADRB1 (0.34) ALDH1A1L3MBTL1ADRB1ADRB3
SCHEMBL12719421 0.91 ADRB1 (0.34) ALDH1A1L3MBTL1ADRB1ADRB3
SCHEMBL12823907 0.91 RARA (0.35) FFAR1FFAR4MCL1PTPN11RARA
SCHEMBL14766404 0.90 FFAR1 (0.42) FFAR1FFAR4MCL1S1PR1S1PR3
SCHEMBL12823401 0.90 PTGS2 (0.42) FFAR1FFAR4PTGS2APPCYP2C19
SCHEMBL12823217 0.90 ADRB3 (0.36) FFAR1FFAR4S1PR1RARARARB
SCHEMBL12717881 0.88 S1PR1 (0.37) FFAR1FFAR4MCL1S1PR1S1PR3
SCHEMBL12823898 0.87 ADRB1 (0.34) ADRB1ADRB3

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 247/4885FFAR4 546/4885MCL1 2702/4885

“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.