SCHEMBL11939375

SCHEMBL11939375

CCOc1ccc(COc2ccc(C3CCC(c4ccc(C(C)O)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL11939379 1.00 PTGDR2 (0.35) PTGDR2MAOAMAOBPKMMEN1
SCHEMBL11939105 0.93 PTGDR2 (0.33) PTGDR2MAOAMAOB
SCHEMBL11939285 0.93 PTGDR2 (0.33) PTGDR2MAOAMAOB
SCHEMBL10303214 0.92 NAAA (0.35) MAOAMAOBHTR1AACACB
SCHEMBL11938887 0.92 MAOA (0.32) MAOAMAOBSMN1; SMN2ACACBCALM1
SCHEMBL12223403 0.92 TP53 (0.34) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10303398 0.92 TP53 (0.34) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL12836571 0.90 PTGDR2 (0.32) PTGDR2MAOAMAOB
SCHEMBL12836537 0.90 PTGDR2 (0.32) PTGDR2MAOAMAOB
SCHEMBL11940000 0.90 MAOA (0.39) PTGDR2MAOAMAOBPKMSLC6A2

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 PTGDR2 999/4885MAOA 2577/4885MAOB 2056/4885

“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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