SCHEMBL12823217

SCHEMBL12823217

C=CCCCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.36
ADRB1 P08588 7/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
S1PR1 P21453 1/20 0.33
FAAH O00519 2/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
FFAR1 O14842 2/20 0.31
PPARD Q03181 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12822310 0.96 ADRB3 (0.37) ADRB3ADRB1RARARARBS1PR1
SCHEMBL12719421 0.94 ADRB1 (0.34) ADRB3ADRB1FAAHL3MBTL1
SCHEMBL12822511 0.94 ADRB1 (0.34) ADRB3ADRB1FAAHL3MBTL1
SCHEMBL12821512 0.90 ADRB1 (0.34) ADRB3ADRB1
SCHEMBL12823898 0.90 ADRB1 (0.34) ADRB3ADRB1
SCHEMBL12823214 0.90 MAPT (0.39) ADRB3ADRB1RARARARBFAAH
SCHEMBL12719403 0.90 ALDH1A1 (0.35) ADRB3ADRB1S1PR1FAAHMAPT
SCHEMBL12822977 0.90 FFAR1 (0.36) ADRB3ADRB1RARARARBS1PR1
SCHEMBL14766395 0.89 RARB (0.46) ADRB3ADRB1RARARARBS1PR1
SCHEMBL12823956 0.88 ALDH1A1 (0.35) ADRB3ADRB1S1PR1FAAHMAPT

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 ADRB3 1116/4885ADRB1 906/4885RARA 2089/4885

“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.