Sugi Predict

Sugi Predict / Compounds / SCHEMBL9604029

SCHEMBL9604029

SCHEMBL9604029

c1ccc(-c2ccc(-c3ccccc3)c3oc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.49
▸ DHODH Q02127 1/20 0.40
▸ GGPS1 O95749 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CDC14B O60729 1/20 0.38
▸ CDC14A Q9UNH5 1/20 0.38
▸ PRKDC P78527 4/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CB P42338 2/20 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
SCHEMBL9604028 0.91 ALOX5 (0.50) ALOX5DHODHGGPS1KDM4EALDH1A1
SCHEMBL9604034 0.86 ALOX5 (0.51) ALOX5DHODHGGPS1KDM4EALDH1A1
SCHEMBL9604035 0.85 DHODH (0.53) ALOX5DHODHGGPS1KDM4EALDH1A1
SCHEMBL9604032 0.83 ALOX5 (0.48) ALOX5DHODHGGPS1KDM4EALDH1A1
SCHEMBL20714199 0.83 ALOX5 (0.48) ALOX5DHODHGGPS1KDM4EALDH1A1
SCHEMBL9604021 0.82 ALOX5 (0.47) ALOX5GGPS1KDM4EALDH1A1CYP1A2
SCHEMBL9604013 0.82 ALOX5 (0.47) ALOX5GGPS1KDM4EALDH1A1CYP1A2
SCHEMBL13621045 0.82 KDM4E (0.44) DHODHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8281371 0.82 ALOX5 (0.55) ALOX5GGPS1KDM4EALDH1A1CYP1A2
SCHEMBL12324537 0.81 ALOX5 (0.64) ALOX5GGPS1KDM4EALDH1A1CYP1A2

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 720/4885DHODH 1631/4885GGPS1 2257/4885

“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.