Sugi Predict

Sugi Predict / Compounds / SCHEMBL9604033

SCHEMBL9604033

SCHEMBL9604033

c1ccc2cc(-c3cccc4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)oc34)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.52
▸ PRKDC P78527 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ GGPS1 O95749 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.38

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
SCHEMBL9604039 0.96 ALOX5 (0.48) ALOX5PRKDCESR1ESR2DHODH
SCHEMBL9604038 0.89 ALOX5 (0.49) ALOX5PRKDCESR1ESR2DHODH
SCHEMBL9604034 0.89 ALOX5 (0.51) ALOX5PRKDCESR1ESR2DHODH
SCHEMBL9604036 0.88 ALOX5 (0.52) ALOX5PRKDCESR1ESR2DHODH
SCHEMBL9604031 0.88 ALOX5 (0.48) ALOX5PRKDCESR1ESR2DHODH
SCHEMBL9604035 0.87 DHODH (0.53) ALOX5PRKDCESR1ESR2DHODH
SCHEMBL18086162 0.87 ALOX5 (0.66) ALOX5PRKDCGGPS1NPC1RAB9A
SCHEMBL21000626 0.87 ALOX5 (0.51) ALOX5PRKDCESR1ESR2DHODH
SCHEMBL9603971 0.86 ALOX5 (0.53) ALOX5ALDH1A1MAPTNPC1HPGD
SCHEMBL25118713 0.86 ALOX5 (0.64) ALOX5PRKDCESR1ESR2GGPS1

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 720/4885PRKDC 4516/4885ESR1 99/4885

“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.