SCHEMBL12822657

SCHEMBL12822657

C=CCCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA4 P22748 4/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
MCL1 Q07820 1/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PTGS2 P35354 2/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CASR P41180 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
PTPN11 Q06124 1/20 0.32
FFAR1 O14842 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
SCHEMBL12822977 0.96 FFAR1 (0.36) APPCYP2C19CA4S1PR1S1PR3
SCHEMBL12823907 0.95 RARA (0.35) MCL1ADRB1ADRB3CASRRARA
SCHEMBL12719819 0.91 RARA (0.37) MCL1ADRB1ADRB3RARARARB
SCHEMBL12823898 0.90 ADRB1 (0.34) ADRB1ADRB3CASR
SCHEMBL12821512 0.90 ADRB1 (0.34) ADRB1ADRB3CASR
SCHEMBL12823523 0.90 APP (0.38) APPCYP2C19CA4CA12CA9
SCHEMBL12822310 0.89 ADRB3 (0.37) S1PR1ADRB1ADRB3RARARARB
SCHEMBL14766917 0.89 RARA (0.42) CYP2C19S1PR1S1PR3MCL1RARA
SCHEMBL12823401 0.89 PTGS2 (0.42) APPCYP2C19PTGS2AKR1C3AKR1C2
SCHEMBL12717319 0.87 S1PR1 (0.36) APPCYP2C19CA4S1PR1S1PR3

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 APP 2200/4885CYP2C19 2333/4885CA4 2222/4885

“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.