SCHEMBL13258485

SCHEMBL13258485

COc1ccc(-c2ccc(OC(=O)c3cccc(C(=O)Oc4ccc(-c5ccc(OC(=O)c6ccc(C(C)=O)cc6)cc5C)c(C)c4)c3)cc2C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ KMT2A Q03164 11/20 0.52
▸ MEN1 O00255 4/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ ACR P10323 2/20 0.47
▸ TP53 P04637 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
SCHEMBL14007586 0.85 ESR1 (0.51) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL13085851 0.84 ESR1 (0.64) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL13258484 0.83 KMT2A (0.49) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL14579669 0.82 PRSS1 (0.65) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL14007592 0.81 KMT2A (0.47) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL14579677 0.81 KMT2A (0.67) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL17018619 0.81 ESR1 (0.68) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL14007583 0.80 ESR1 (0.47) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL14579726 0.80 MAPT (0.54) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL13341069 0.79 ESR1 (0.53) ESR1ESR2KMT2AMEN1CASP3

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 ESR1 1423/4885ESR2 1573/4885KMT2A 1499/4885

“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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