SCHEMBL12821271

SCHEMBL12821271

C=CCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ CASR P41180 1/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ MGAM O43451 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ SI P14410 3/20 0.32
▸ MGAM2 Q2M2H8 3/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ADRB3 P13945 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
SCHEMBL12718933 0.95 MEN1 (0.36) APPCYP2C19S1PR1S1PR3MEN1
SCHEMBL12821275 0.91 S1PR1 (0.37) APPCYP2C19S1PR1S1PR3CASR
SCHEMBL10303020 0.89 S1PR1 (0.35) APPCYP2C19S1PR1S1PR3MEN1
SCHEMBL12823432 0.88 CYP2D6 (0.38) APPCYP2C19MEN1KMT2ALMNA
SCHEMBL12821157 0.88 PTGS2 (0.43) APPCYP2C19S1PR1S1PR3PTGS2
SCHEMBL12735728 0.87 FFAR4 (0.39) S1PR1S1PR3MEN1KMT2ALMNA
SCHEMBL12821269 0.86 CTSS (0.34) MEN1KMT2ALMNACYP2D6
SCHEMBL14766076 0.86 MAOB (0.37) S1PR1S1PR3MEN1KMT2ALMNA
SCHEMBL12718687 0.86 CTSS (0.34) MEN1KMT2ALMNACYP2D6
SCHEMBL12719179 0.86 CYP2D6 (0.39) APPCYP2C19MEN1KMT2ALMNA

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 2333/4885S1PR1 1190/4885

“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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