SCHEMBL12568060

SCHEMBL12568060

CCc1cc(-c2cccc3c2oc2ccccc23)cc(-c2nc3ccccc3n2-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
GGPS1 O95749 1/20 0.40
RECQL P46063 1/20 0.39
PTGER4 P35408 1/20 0.38
ALOX5 P09917 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
GRIA1 P42261 1/20 0.36

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
SCHEMBL12349486 0.90 RECQL (0.41) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL12568068 0.89 ESR1 (0.44) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL12568069 0.88 RECQL (0.41) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL12568072 0.88 ESR1 (0.44) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL15446518 0.87 ESR1 (0.44) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL1994841 0.87 ESR1 (0.46) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL12349214 0.86 RECQL (0.39) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL12568061 0.86 RECQL (0.39) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL12349436 0.85 RECQL (0.42) ESR1ESR2GGPS1RECQLPTGER4
SCHEMBL12567902 0.85 RECQL (0.43) ESR1ESR2GGPS1RECQLPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354542-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-15 US disclosed
US-8354542-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-15 US disclosed
US-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-06-23 US disclosed
US-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-06-23 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-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device CCNE2, CCNE1, CCNT1 ESR1 32/4885ESR2 216/4885GGPS1 100/4885

“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.