SCHEMBL11939340

SCHEMBL11939340

CCOc1ccc(-c2ccc(C3CCC(C(=O)Oc4ccc(C(C)O)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.37
▸ FFAR4 Q5NUL3 4/20 0.35
▸ PTGS2 P35354 2/20 0.33
▸ BDKRB1 P46663 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ PDE10A Q9Y233 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
SCHEMBL11939271 0.94 HPGD (0.37) HPGDFFAR4PTGS2BDKRB1PTGS1
SCHEMBL15381522 0.93 HPGD (0.42) HPGDFFAR4PTGS2PTGS1GLA
SCHEMBL11939181 0.91 HPGD (0.36) HPGDFFAR4PTGS2BDKRB1PTGS1
SCHEMBL11939267 0.89 HPGD (0.39) HPGDPTGS2PTGS1LMNAALOX15
SCHEMBL11939333 0.89 HPGD (0.39) HPGDPTGS2PTGS1LMNAALOX15
SCHEMBL11939002 0.89 FPR2 (0.38) FFAR4PTGS2PTGS1CAMKK1CAMKK2
SCHEMBL11933236 0.88 HPGD (0.39) HPGDFFAR4LMNAALOX15GLA
SCHEMBL15381724 0.87 HPGD (0.38) HPGDFFAR4CAMKK1CAMKK2
SCHEMBL12223357 0.87 HPGD (0.41) HPGDLMNAALOX15GLASSTR5
SCHEMBL12223508 0.86 HPGD (0.37) HPGDPTGS2PTGS1LMNAALOX15

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — US disclosed
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 HPGD 3893/4885FFAR4 1038/4885PTGS2 4058/4885

“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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