SCHEMBL9603942

SCHEMBL9603942

CC(C)c1cccc2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
DHODH Q02127 1/20 0.38
PRKDC P78527 5/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
ELANE P08246 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PARP14 Q460N5 1/20 0.36
HPGD P15428 2/20 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
SCHEMBL9603944 0.89 ALOX5 (0.40) ALOX5ESR1ESR2RAB9ANPC1
SCHEMBL9603939 0.85 ALOX5 (0.45) ALOX5RAB9ANPC1DHODHPRKDC
SCHEMBL9603949 0.85 DHODH (0.47) ALOX5ESR1ESR2RAB9ANPC1
SCHEMBL9603943 0.85 MTNR1A (0.41) ALOX5ESR2RAB9ANPC1DHODH
SCHEMBL9603963 0.84 NPC1 (0.51) ALOX5ESR1ESR2RAB9ANPC1
SCHEMBL9603953 0.84 DHODH (0.49) ALOX5ESR1ESR2RAB9ANPC1
SCHEMBL9603945 0.83 ALOX5 (0.43) ALOX5ESR1ESR2RAB9ANPC1
SCHEMBL9603960 0.83 ALOX5 (0.45) ALOX5ESR1ESR2RAB9ANPC1
SCHEMBL9603956 0.83 DHODH (0.45) ALOX5ESR1ESR2RAB9ANPC1
SCHEMBL9603952 0.83 ALOX5 (0.45) ALOX5ESR1ESR2RAB9ANPC1

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 ALOX5 720/4885ESR1 99/4885ESR2 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.