SCHEMBL12823079

SCHEMBL12823079

C=CCCCOc1ccc(/C=C/c2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.35
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ KCNA3 P22001 1/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL12823267 0.96 PTGS1 (0.33) HDAC8FFAR1FFAR4PTGS1PTGS2
SCHEMBL12823308 0.95 HDAC8 (0.34) HDAC8FFAR1FFAR4PTGS1PTGS2
SCHEMBL12823723 0.90 MEN1 (0.39) FFAR1FFAR4PTGS2CYP1A1CYP1A2
SCHEMBL10302967 0.90 KCNA3 (0.31) KCNA3KMT2A
SCHEMBL14766682 0.88 AHR (0.42) HDAC8FFAR1FFAR4PTGS1PTGS2
SCHEMBL12821247 0.86 APP (0.30) KMT2A
SCHEMBL12718250 0.86 APP (0.30) KMT2A
SCHEMBL10302945 0.86 — —
SCHEMBL12716739 0.85 FAAH (0.33) S1PR1
SCHEMBL10302942 0.85 HDAC8 (0.35) HDAC8FFAR1FFAR4PTGS1PTGS2

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 HDAC8 4142/4885FFAR1 247/4885FFAR4 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.

Send feedback