SCHEMBL12823953

SCHEMBL12823953

CCOc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.42
▸ MAPT P10636 5/20 0.41
▸ FFAR1 O14842 5/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.40
▸ PPARD Q03181 4/20 0.39
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 2/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ APP P05067 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL14767138 0.90 MAPT (0.48) MAPTFFAR1FFAR4PPARDTP53
SCHEMBL12823722 0.89 MAPT (0.40) PTGS2MAPTFFAR1FFAR4PPARD
SCHEMBL12823728 0.88 ADRB2 (0.38) MAPTAPPCYP2C19
SCHEMBL12742782 0.88 MAPT (0.45) MAPTFFAR1FFAR4PPARDTP53
SCHEMBL13586234 0.88 PTGS2 (0.40) PTGS2MAPTFFAR1FFAR4PPARD
SCHEMBL12742794 0.87 MAPT (0.46) MAPTFFAR1FFAR4PPARDTP53
SCHEMBL12822923 0.87 MAPT (0.49) MAPTFFAR1FFAR4PPARDTP53
SCHEMBL12742793 0.87 MAPT (0.44) MAPTFFAR1FFAR4PPARDTP53
SCHEMBL12823719 0.87 CASR (0.36) MAPTFFAR1FFAR4APPCYP2C19
SCHEMBL12742788 0.86 MAPT (0.41) MAPTFFAR1FFAR4PPARDTP53

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 1 patent. 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

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 PTGS2 3919/4885MAPT 1075/4885FFAR1 247/4885

“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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