SCHEMBL9604015

SCHEMBL9604015

CCc1cccc2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
ALOX5 P09917 1/20 0.45
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
DHODH Q02127 1/20 0.42
NPC1 O15118 4/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
GGPS1 O95749 1/20 0.39
PTGS2 P35354 1/20 0.39
ELANE P08246 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 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
SCHEMBL9604016 0.91 MTNR1A (0.49) MTNR1AMTNR1BALOX5ESR2ESR1
SCHEMBL9604017 0.89 MTNR1A (0.53) MTNR1AMTNR1BALOX5ESR2ESR1
SCHEMBL9604023 0.88 MTNR1A (0.43) MTNR1AMTNR1BALOX5ESR2DHODH
SCHEMBL9604034 0.85 ALOX5 (0.51) ALOX5ESR2ESR1DHODHNPC1
SCHEMBL9604044 0.84 NPC1 (0.52) ALOX5ESR2ESR1DHODHNPC1
SCHEMBL9604018 0.84 ALOX5 (0.48) ALOX5ESR2ESR1DHODHNPC1
SCHEMBL9604035 0.84 DHODH (0.53) ALOX5ESR2ESR1DHODHNPC1
SCHEMBL9603967 0.83 NPC1 (0.55) ALOX5NPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL9604038 0.83 ALOX5 (0.49) ALOX5ESR2ESR1DHODHNPC1
SCHEMBL9603977 0.82 NPC1 (0.54) ALOX5DHODHNPC1TP53SMN1; SMN2

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-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 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-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device XDH, AOX1, CYP4X1 MTNR1A 302/4885MTNR1B 935/4885ALOX5 720/4885

“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.