SCHEMBL12822489

SCHEMBL12822489

C=CCCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ CASR P41180 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ ACR P10323 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL12823996 1.00 ALDH1A1 (0.33) ALDH1A1CASRKDM4EL3MBTL1MEN1
SCHEMBL12717868 0.93 MCHR1 (0.35) ALDH1A1CASRL3MBTL1MEN1KMT2A
SCHEMBL12822624 0.90 APP (0.37) ALDH1A1CASRL3MBTL1
SCHEMBL12717954 0.90 KDM4E (0.38) ALDH1A1CASRKDM4EL3MBTL1MEN1
SCHEMBL12823264 0.90 KDM4E (0.38) ALDH1A1CASRKDM4EL3MBTL1MEN1
SCHEMBL12823168 0.89 KDM4E (0.31) KDM4EL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL12823944 0.89 KDM4E (0.31) KDM4EL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL12823714 0.88 FFAR4 (0.34) ALDH1A1CASRL3MBTL1
SCHEMBL12823719 0.88 CASR (0.36) ALDH1A1CASRL3MBTL1MEN1KMT2A
SCHEMBL12742690 0.88 TP53 (0.37) ALDH1A1KDM4EL3MBTL1MEN1KMT2A

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 ALDH1A1 1480/4885CASR 2823/4885KDM4E 2690/4885

“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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