SCHEMBL12822753

SCHEMBL12822753

CC(O)c1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ANPEP P15144 2/20 0.32
ALDH1A1 P00352 1/20 0.31
APP P05067 4/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
FFAR1 O14842 3/20 0.30
POLB P06746 1/20 0.30
ABCB11 O95342 1/20 0.30
PTGS2 P35354 1/20 0.30
EGFR P00533 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
MAPT P10636 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
SCHEMBL12823420 0.91 ALOX5AP (0.34) ALOX5APFEN1ALDH1A1POLBADRB1
SCHEMBL12823946 0.91 ALOX5AP (0.34) ALOX5APFEN1ALDH1A1POLBADRB1
SCHEMBL13586425 0.89 PDE4A (0.33) ALOX5APFEN1ADRB1ADRB3MAPT
SCHEMBL12823272 0.88 APP (0.36) APPCYP2C19PTGS2MAPT
SCHEMBL12823166 0.88 ALOX5AP (0.36) ALOX5APFEN1EGFRMAPT
SCHEMBL12822911 0.87 MAPT (0.41) ALDH1A1CYP2C19CYP3A4CYP2C9FFAR1
SCHEMBL12823481 0.86 APP (0.38) ALDH1A1APPCYP2C19CYP3A4CYP2C9
SCHEMBL12717341 0.86 ALOX5AP (0.30) ALOX5APFEN1
SCHEMBL12823672 0.86 APP (0.36) ANPEPAPPCYP2C19PTGS2MAPT
SCHEMBL12718289 0.85 MPL (0.38) ALOX5APFEN1MAPT

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 ALOX5AP 1673/4885FEN1 3340/4885ANPEP 4822/4885

“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.