SCHEMBL12823319

SCHEMBL12823319

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.38
▸ PPARD Q03181 4/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ NAAA Q02083 2/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ CAMKK1 Q8N5S9 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ FFAR4 Q5NUL3 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12822767 0.90 ERN1 (0.36) FFAR1PPARDNR1H4NAAAHTR1A
SCHEMBL13586124 0.90 FFAR1 (0.36) FFAR1PPARDNR1H4NAAAHTR1A
SCHEMBL12823312 0.88 NR1H4 (0.34) FFAR1PPARDNR1H4NAAAHTR1A
SCHEMBL12736359 0.88 SLC6A2 (0.39) FFAR1PPARDNR1H4NAAAHTR1A
SCHEMBL12716728 0.88 SLC6A2 (0.34) FFAR1NR1H4NAAAHTR1ASLC6A2
SCHEMBL12822841 0.87 FFAR1 (0.42) FFAR1PPARDFFAR4F10
SCHEMBL12823891 0.87 FFAR1 (0.42) FFAR1PPARDFFAR4F10
SCHEMBL12736360 0.87 NAAA (0.39) FFAR1PPARDNR1H4NAAAHTR1A
SCHEMBL14766463 0.86 NAAA (0.45) FFAR1PPARDNR1H4NAAAHTR1A
SCHEMBL12822799 0.86 NAAA (0.43) FFAR1PPARDNR1H4NAAAHTR1A

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 FFAR1 247/4885PPARD 3762/4885NR1H4 1534/4885

“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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