SCHEMBL12822919

SCHEMBL12822919

C=CCCOc1ccc(-c2ccc(COc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.36
▸ F10 P00742 3/20 0.34
▸ FFAR4 Q5NUL3 5/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ CSF1R P07333 1/20 0.32
▸ FEN1 P39748 4/20 0.32
▸ ALOX5AP P20292 2/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL12823085 0.93 FFAR1 (0.36) FFAR1F10FFAR4PPARD
SCHEMBL12716864 0.92 FFAR1 (0.37) FFAR1F10FFAR4NR1H4HTR1A
SCHEMBL12716774 0.91 FFAR1 (0.34) FFAR1F10FFAR4NR1H4CSF1R
SCHEMBL12823345 0.90 FFAR1 (0.38) FFAR1F10FFAR4PPARD
SCHEMBL12736458 0.90 F10 (0.34) FFAR1F10FFAR4NR1H4FEN1
SCHEMBL12717023 0.90 FEN1 (0.35) FEN1ALOX5APHTR1ASLC6A2SLC6A4
SCHEMBL12823277 0.90 FEN1 (0.35) FEN1ALOX5APHTR1ASLC6A2SLC6A4
SCHEMBL12822806 0.89 FFAR1 (0.39) FFAR1F10FFAR4NR1H4PPARD
SCHEMBL14765789 0.88 GABRA1 (0.35) FFAR1F10FFAR4NR1H4FEN1
SCHEMBL12717508 0.88 FFAR1 (0.34) FFAR1F10FFAR4NR1H4CSF1R

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 247/4885F10 950/4885FFAR4 546/4885

“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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