SCHEMBL12823308

SCHEMBL12823308

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ ALDH2 P05091 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ HMOX1 P09601 2/20 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
SCHEMBL12823079 0.95 HDAC8 (0.35) HDAC8S1PR1S1PR3FFAR1FFAR4
SCHEMBL10302942 0.91 HDAC8 (0.35) HDAC8S1PR1S1PR3FFAR1FFAR4
SCHEMBL12823267 0.91 PTGS1 (0.33) HDAC8FFAR1FFAR4PTGS2PTGS1
SCHEMBL12821251 0.90 PTGS2 (0.38) FFAR1FFAR4PTGS2AHRAKR1C3
SCHEMBL12821247 0.89 APP (0.30) —
SCHEMBL12718250 0.89 APP (0.30) —
SCHEMBL14765969 0.88 AHR (0.40) HDAC8S1PR1S1PR3FFAR1FFAR4
SCHEMBL12716739 0.87 FAAH (0.33) S1PR1
SCHEMBL12821303 0.87 CASR (0.32) S1PR1S1PR3CA12CA4CA9
SCHEMBL10302917 0.86 PTGS1 (0.33) HDAC8S1PR1S1PR3FFAR1FFAR4

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 4142/4885S1PR1 1190/4885S1PR3 757/4885

“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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