SCHEMBL13258482

SCHEMBL13258482

COc1ccc(C(c2ccc(OC(=O)c3cccc(C(=O)Oc4ccc(C(c5ccc(OC(=O)c6ccc(C(C)=O)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.47
▸ MAPT P10636 6/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ ACR P10323 1/20 0.42

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
SCHEMBL12762435 0.95 GAA (0.46) KMT2AMAPTTDP1L3MBTL1GAA
SCHEMBL12762422 0.93 KMT2A (0.50) KMT2AMAPTTDP1L3MBTL1CYP1A2
SCHEMBL15764240 0.89 MAPT (0.49) KMT2AMAPTTDP1L3MBTL1CYP1A2
SCHEMBL12925841 0.86 MAPT (0.52) KMT2AMAPTTDP1L3MBTL1GAA
SCHEMBL13161732 0.86 MAPT (0.61) KMT2AMAPTTDP1L3MBTL1GAA
SCHEMBL18025323 0.86 MAOB (0.47) KMT2AMAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL12971601 0.84 MAPT (0.52) KMT2AMAPTTDP1L3MBTL1GAA
SCHEMBL14007591 0.82 MAPT (0.48) KMT2AMAPTTDP1L3MBTL1GAA
SCHEMBL25986623 0.82 MAPT (0.55) KMT2AMAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL10022910 0.82 KMT2A (0.56) KMT2AMAPTTDP1L3MBTL1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445079-B2 Optical film, image display device, diethynylfluorene, and polymer thereof NITTO DENKO CORPORATION (JP) 2013-05-21 — — US disclosed
US-8309186-B2 — — 2012-11-13 — — US disclosed
US-20100182693-A1 OPTICAL FILM, IMAGE DISPLAY DEVICE, DIETHYNYLFLUORENE, AND POLYMER THEREOF NITTO DENKO CORPORATION (JP) 2010-07-22 — — 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-20100182693-A1 OPTICAL FILM, IMAGE DISPLAY DEVICE, DIETHYNYLFLUORENE, AND POLYMER THEREOF CDYL, CD79B, CDY1; CDY1B KMT2A 1499/4885MAPT 2072/4885TDP1 3765/4885

“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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