SCHEMBL12822767

SCHEMBL12822767

C=CCOc1ccc(-c2ccc(COc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ GYS1 P13807 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ FFAR1 O14842 4/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ F10 P00742 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
SCHEMBL12823312 0.91 NR1H4 (0.34) ERN1NR1H4NAAAHTR6HTR1A
SCHEMBL12716828 0.90 FEN1 (0.35) ALDH1A1CYP2D6MEN1KMT2AHTR6
SCHEMBL12822999 0.90 FEN1 (0.35) ALDH1A1CYP2D6MEN1KMT2AHTR6
SCHEMBL12823319 0.90 FFAR1 (0.38) ERN1NR1H4ALDH1A1NAAAHTR6
SCHEMBL12736374 0.88 NAAA (0.37) ERN1NR1H4NAAAHTR6GYS1
SCHEMBL12823246 0.88 ALDH1A1 (0.32) NR1H4ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL12822320 0.87 FFAR4 (0.34) NR1H4MEN1KMT2AGYS1FFAR4
SCHEMBL12823577 0.87 FFAR1 (0.39) GYS1FFAR1FFAR4PPARDF10
SCHEMBL12716864 0.87 FFAR1 (0.37) NR1H4MEN1KMT2AHTR6GYS1
SCHEMBL12822375 0.87 FFAR1 (0.37) GYS1FFAR1FFAR4PPARDF10

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 ERN1 1334/4885NR1H4 1534/4885ALDH1A1 1480/4885

“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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