SCHEMBL10125889

SCHEMBL10125889

CCCCc1cc2nc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)cc3)oc2cc1CCCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CASP3 P42574 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
GPR119 Q8TDV5 9/20 0.44
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
PSMB5 P28074 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
SCHEMBL10126051 0.98 ESR1 (0.46) ESR1ESR2CASP3SMN1; SMN2SENP7
SCHEMBL10125879 0.93 SMN1; SMN2 (0.46) ESR1ESR2CASP3SMN1; SMN2SENP7
SCHEMBL10126049 0.90 ESR1 (0.44) ESR1ESR2CASP3SMN1; SMN2SENP7
SCHEMBL10125882 0.88 SMN1; SMN2 (0.48) CASP3SMN1; SMN2SENP7SENP6KDM4E
SCHEMBL10126044 0.85 NPC1 (0.45) ESR1ESR2CASP3SMN1; SMN2SENP7
SCHEMBL13621039 0.85 ESR1 (0.46) ESR1ESR2CASP3SMN1; SMN2SENP7
SCHEMBL10125891 0.82 KDM4E (0.45) CASP3SMN1; SMN2SENP7SENP6KDM4E
SCHEMBL10125887 0.79 SMN1; SMN2 (0.44) CASP3SMN1; SMN2SENP7SENP6KDM4E
SCHEMBL10125873 0.79 MTNR1A (0.45) ESR1ESR2SMN1; SMN2KDM4ENPC1
SCHEMBL10125862 0.79 SMN1; SMN2 (0.55) CASP3SMN1; SMN2SENP7SENP6KDM4E

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-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 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-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same NDUFA11, NDUFA9, NDUFA12 ESR1 696/4885ESR2 1796/4885CASP3 4108/4885

“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.