SCHEMBL9603962

SCHEMBL9603962

CC(C)(C)c1ccc(-c2cccc3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)oc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
ALOX5 P09917 1/20 0.42
S1PR1 P21453 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
GFER P55789 1/20 0.38
PRKDC P78527 3/20 0.37
DHODH Q02127 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
XBP1 P17861 1/20 0.36
ELANE P08246 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9603945 0.89 ALOX5 (0.43) TNFNOD1TNKSTNKS2ALOX5
SCHEMBL9603949 0.89 DHODH (0.47) ALOX5NPC1RAB9APRKDCDHODH
SCHEMBL9603963 0.88 NPC1 (0.51) TNKSTNKS2ALOX5NPC1RAB9A
SCHEMBL9603953 0.88 DHODH (0.49) ALOX5NPC1RAB9APRKDCDHODH
SCHEMBL9603960 0.86 ALOX5 (0.45) ALOX5NPC1RAB9APRKDCDHODH
SCHEMBL8281273 0.85 S1PR1 (0.54) TNFNOD1TNKSTNKS2ALOX5
SCHEMBL9603939 0.84 ALOX5 (0.45) ALOX5NPC1RAB9APRKDCDHODH
SCHEMBL9603952 0.84 ALOX5 (0.45) ALOX5NPC1RAB9APRKDCDHODH
SCHEMBL9603956 0.84 DHODH (0.45) ALOX5NPC1RAB9APRKDCDHODH
SCHEMBL9603954 0.83 ALOX5 (0.48) ALOX5NPC1RAB9APRKDCDHODH

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 TNF 4591/4885NOD1 1254/4885TNKS 3492/4885

“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.