SCHEMBL9603940

SCHEMBL9603940

CCCc1cccc2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.47
MTNR1B P49286 7/20 0.47
ESR2 Q92731 3/20 0.43
ESR1 P03372 2/20 0.43
ALOX5 P09917 1/20 0.41
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PRKDC P78527 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL9603941 0.94 MTNR1A (0.50) MTNR1AMTNR1BESR2ESR1ALOX5
SCHEMBL9603937 0.91 MTNR1A (0.44) MTNR1AMTNR1BESR2ESR1ALOX5
SCHEMBL9603943 0.87 MTNR1A (0.41) MTNR1AMTNR1BESR2ALOX5TP53
SCHEMBL9603939 0.83 ALOX5 (0.45) ALOX5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9603949 0.83 DHODH (0.47) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9603963 0.82 NPC1 (0.51) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9603953 0.82 DHODH (0.49) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9603945 0.81 ALOX5 (0.43) ESR2ESR1ALOX5TP53SMN1; SMN2
SCHEMBL9603944 0.81 ALOX5 (0.40) MTNR1AMTNR1BESR2ESR1ALOX5
SCHEMBL9603956 0.81 DHODH (0.45) ESR2ESR1ALOX5TP53SMN1; 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 935/4885ESR2 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.