SCHEMBL9603946

SCHEMBL9603946

c1ccc(-c2cccc3oc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
TOP2A P11388 2/20 0.44
PRKDC P78527 6/20 0.40
LIMK1 P53667 2/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
RCE1 Q9Y256 1/20 0.38
ELANE P08246 1/20 0.37
PARP14 Q460N5 1/20 0.36
ENPP1 P22413 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL9603931 0.88 ALOX5 (0.44) ALOX5TOP2APRKDCPIK3CDPIK3CB
SCHEMBL9603951 0.87 ALOX5 (0.45) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL19452602 0.86 ALOX5 (0.48) ALOX5TOP2APRKDCLIMK1PIK3CD
SCHEMBL21000591 0.85 ALOX5 (0.47) ALOX5TOP2APRKDCLIMK1PIK3CD
SCHEMBL8512669 0.85 NPC1 (0.50) ALOX5ELANESMN1; SMN2RAB9AALDH1A1
SCHEMBL27050580 0.85 TOP2A (0.39) ALOX5TOP2APRKDCLIMK1RCE1
SCHEMBL9603950 0.84 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBELANE
SCHEMBL19452706 0.84 ALOX5 (0.46) ALOX5TOP2APRKDCLIMK1PIK3CD
SCHEMBL9603887 0.84 NPC1 (0.49) ALOX5PRKDCSMN1; SMN2RAB9AALDH1A1
SCHEMBL23473817 0.83 TOP2A (0.39) ALOX5TOP2APRKDCLIMK1RCE1

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 720/4885TOP2A 3581/4885PRKDC 4516/4885

“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.