SCHEMBL12822764

SCHEMBL12822764

C=CCOc1ccc(C2CCC(OC(=O)c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.34
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
FFAR4 Q5NUL3 3/20 0.31
GYS1 P13807 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
FFAR1 O14842 2/20 0.30
CYP2C19 P33261 1/20 0.30
CASR P41180 1/20 0.30
MAOB P27338 1/20 0.30
CAMKK1 Q8N5S9 1/20 0.30
CAMKK2 Q96RR4 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL12823933 0.94 APP (0.34) APPADRB2ADRB1ADRB3FFAR4
SCHEMBL12823126 0.92 FFAR4 (0.34) APPFFAR4PTGS2FFAR1CASR
SCHEMBL12822780 0.91 PTGS2 (0.39) APPFFAR4PTGS2FFAR1CAMKK1
SCHEMBL12737908 0.90 FFAR4 (0.34) FFAR4GYS1MEN1LMNAMAPT
SCHEMBL14766830 0.90 FFAR4 (0.38) FFAR4GYS1MEN1MAPTKMT2A
SCHEMBL12822645 0.88 ADRB2 (0.32) ADRB2ADRB1ADRB3
SCHEMBL12821321 0.88 ADRB2 (0.32) ADRB2ADRB1ADRB3
SCHEMBL12822826 0.87 MEN1 (0.37) APPADRB2ADRB1ADRB3GYS1
SCHEMBL12823469 0.86 FFAR1 (0.34) ADRB2ADRB1ADRB3FFAR1MAOB
SCHEMBL12719393 0.86 ACACB (0.33) APPFFAR4PTGS2MEN1KMT2A

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 2200/4885ADRB2 526/4885ADRB1 906/4885

“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.