SCHEMBL12823481

SCHEMBL12823481

CC(O)c1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(C5CO5)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.38
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
AKR1C3 P42330 5/20 0.33
AKR1C2 P52895 5/20 0.33
PTGS2 P35354 4/20 0.33
PTGS1 P23219 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 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
SCHEMBL12823198 0.88 APP (0.34) APPCYP2C19PTGS2MAPT
SCHEMBL12718002 0.87 RARB (0.38) APPCYP2C9CYP3A4KMT2AMAPT
SCHEMBL12823484 0.87 KMT2A (0.41) APPCYP2C19CYP2C9CYP3A4MEN1
SCHEMBL12823420 0.86 ALOX5AP (0.34) ALDH1A1
SCHEMBL12823946 0.86 ALOX5AP (0.34) ALDH1A1
SCHEMBL12822753 0.86 ALOX5AP (0.32) APPCYP2C19CYP2C9CYP3A4PTGS2
SCHEMBL12717996 0.86
SCHEMBL13586208 0.85 RARB (0.42) MAPT
SCHEMBL13586210 0.84 RELA (0.32) APPCYP2C9CYP3A4PTGS2MEN1
SCHEMBL12821323 0.84 APP (0.35) APPCYP2C19CYP2C9CYP3A4PTGS2

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 2333/4885CYP2C9 2816/4885

“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.