SCHEMBL9604016

SCHEMBL9604016

CCCc1cccc2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
ESR2 Q92731 4/20 0.46
ESR1 P03372 3/20 0.46
ALOX5 P09917 1/20 0.43
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DHODH Q02127 1/20 0.38
GGPS1 O95749 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37

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
SCHEMBL9604017 0.93 MTNR1A (0.53) MTNR1AMTNR1BESR2ESR1ALOX5
SCHEMBL9604015 0.91 MTNR1A (0.46) MTNR1AMTNR1BESR2ESR1ALOX5
SCHEMBL9604023 0.86 MTNR1A (0.43) MTNR1AMTNR1BESR2ALOX5TP53
SCHEMBL9604034 0.83 ALOX5 (0.51) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9604044 0.82 NPC1 (0.52) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9604018 0.82 ALOX5 (0.48) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9604035 0.82 DHODH (0.53) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9603967 0.81 NPC1 (0.55) ALOX5TP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL9604038 0.81 ALOX5 (0.49) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9603977 0.80 NPC1 (0.54) ALOX5TP53SMN1; SMN2NPC1ALDH1A1

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 935/4885ESR2 214/4885

“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.