SCHEMBL11938873

SCHEMBL11938873

CCOc1ccc(-c2ccc(C(=O)OC3CCC(c4ccc(C(C)O)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACACB O00763 6/20 0.33
▸ ALOX5AP P20292 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR3D Q70Z44 1/20 0.31
▸ HTR3C Q8WXA8 1/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ CAMKK1 Q8N5S9 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FPR2 P25090 1/20 0.30
▸ DGAT2 Q96PD7 1/20 0.30
▸ MRGPRX1 Q96LB2 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
SCHEMBL11939212 1.00 PTGS1 (0.33) PTGS1PTGS2MAPTSMN1; SMN2ACACB
SCHEMBL15381579 0.92 MAPT (0.37) PTGS1PTGS2MAPTSMN1; SMN2ACACB
SCHEMBL15381720 0.92 MAPT (0.37) PTGS1PTGS2MAPTSMN1; SMN2ACACB
SCHEMBL11939209 0.91 MAPT (0.33) PTGS1PTGS2MAPTSMN1; SMN2ACACB
SCHEMBL11939018 0.91 MAPT (0.33) PTGS1PTGS2MAPTSMN1; SMN2ACACB
SCHEMBL11939858 0.90 MAPT (0.32) PTGS1PTGS2MAPTSMN1; SMN2ACACB
SCHEMBL11939261 0.90 MAPT (0.32) PTGS1PTGS2MAPTSMN1; SMN2ACACB
SCHEMBL11939359 0.89 NAAA (0.37) PTGS1PTGS2CAMKK1CAMKK2FPR2
SCHEMBL11939343 0.89 FFAR4 (0.35) PTGS1PTGS2CAMKK1CAMKK2FPR2
SCHEMBL14922594 0.89 MAPT (0.36) PTGS1PTGS2MAPTSMN1; SMN2ACACB

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 PTGS1 3289/4885PTGS2 4058/4885MAPT 1566/4885

“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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