SCHEMBL12777243

SCHEMBL12777243

Fc1ccc(-c2ccc3oc(-c4ccc5ccc6c(-c7ccc8ccccc8c7)ccc7ccc4c5c76)nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.42
▸ UTRN P46939 10/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ THRB P10828 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL12777236 0.92 GAA (0.46) HDAC6UTRNCYP1A2AHRMAPT
SCHEMBL12777244 0.86 MAPT (0.57) HDAC6UTRNCYP1A2AHRMAPT
SCHEMBL12776995 0.86 HDAC6 (0.46) HDAC6UTRNMAPTALDH1A1HPGD
SCHEMBL12777066 0.86 HDAC6 (0.46) HDAC6UTRNMAPTALDH1A1HPGD
SCHEMBL12777201 0.85 KDM4E (0.48) HDAC6UTRNMAPTALDH1A1HPGD
SCHEMBL12777242 0.85 RAB9A (0.46) HDAC6UTRNCYP1A2AHRMAPT
SCHEMBL12777228 0.85 ALDH1A1 (0.50) HDAC6UTRNCYP1A2AHRMAPT
SCHEMBL12777240 0.84 HPGD (0.53) HDAC6UTRNCYP1A2AHRMAPT
SCHEMBL12776999 0.83 MAPT (0.48) HDAC6UTRNCYP1A2MAPTESR1
SCHEMBL12777013 0.83 MAPT (0.48) HDAC6UTRNCYP1A2MAPTESR1

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-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — 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-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 HDAC6 4301/4885UTRN 4176/4885CYP1A2 302/4885

“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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