SCHEMBL12823728

SCHEMBL12823728

C=CCOc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ APP P05067 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAOB P27338 2/20 0.34
▸ CASR P41180 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MGAM O43451 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ SI P14410 3/20 0.33
▸ MGAM2 Q2M2H8 3/20 0.33
▸ ALDH2 P05091 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
SCHEMBL12718003 0.94 APP (0.38) ADRB2ADRB1ADRB3CYP2D6KDM4E
SCHEMBL12823712 0.93 KDM4E (0.38) ADRB2ADRB1ADRB3CYP2D6KDM4E
SCHEMBL12823719 0.91 CASR (0.36) APPCYP2C19ALDH1A1CASRMAPT
SCHEMBL12822874 0.89 KDM4E (0.38) ADRB2ADRB1ADRB3CYP2D6KDM4E
SCHEMBL12823953 0.88 PTGS2 (0.42) APPCYP2C19MAPT
SCHEMBL12742805 0.88 FFAR1 (0.38) ADRB2ADRB1ADRB3KDM4EMAOB
SCHEMBL12717339 0.88 KDM4E (0.37) ADRB2ADRB1ADRB3KDM4EAPP
SCHEMBL14767019 0.87 MAPT (0.46) ADRB2ADRB1ADRB3MAOBMAPT
SCHEMBL12823264 0.87 KDM4E (0.38) ADRB2ADRB1ADRB3CYP2D6KDM4E
SCHEMBL12717954 0.87 KDM4E (0.38) ADRB2ADRB1ADRB3CYP2D6KDM4E

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 1 patent. 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

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 ADRB2 526/4885ADRB1 906/4885ADRB3 1116/4885

“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.

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