SCHEMBL13258484

SCHEMBL13258484

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ PRSS1 P07477 1/20 0.44
▸ ACR P10323 1/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ MAOB P27338 3/20 0.42
▸ MAOA P21397 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40

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
SCHEMBL13258485 0.83 ESR1 (0.52) KMT2AESR1ESR2MEN1CASP3
SCHEMBL13085851 0.80 ESR1 (0.64) KMT2AESR1ESR2MEN1CASP3
SCHEMBL14007586 0.79 ESR1 (0.51) KMT2AESR1ESR2MEN1CASP3
SCHEMBL14579669 0.78 PRSS1 (0.65) KMT2AESR1ESR2MEN1CASP3
SCHEMBL13258482 0.78 KMT2A (0.47) KMT2AESR1ESR2MEN1CASP3
SCHEMBL14579677 0.77 KMT2A (0.67) KMT2AESR1ESR2MEN1CASP3
SCHEMBL17018619 0.77 ESR1 (0.68) KMT2AESR1ESR2MEN1CASP3
SCHEMBL16367721 0.76 NR1H4 (0.60) KMT2AMEN1PRSS1ACRMAPT
SCHEMBL14579726 0.76 MAPT (0.54) KMT2AESR1ESR2MEN1CASP3
SCHEMBL12925841 0.76 MAPT (0.52) KMT2AESR1ESR2MEN1CASP3

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 1499/4885ESR1 1423/4885ESR2 1573/4885

“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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