Sugi Predict

Sugi Predict / Compounds / SCHEMBL9603951

SCHEMBL9603951

SCHEMBL9603951

c1ccc(-c2ccc(-c3ccccc3)c3oc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.45
▸ PRKDC P78527 7/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ LIMK1 P53667 2/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ PIK3CA P42336 1/20 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
SCHEMBL9603949 0.88 DHODH (0.47) ALOX5PRKDCPIK3CDPIK3CBLIMK1
SCHEMBL9603946 0.87 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBLIMK1
SCHEMBL9603953 0.87 DHODH (0.49) ALOX5PRKDCPIK3CDPIK3CBLIMK1
SCHEMBL9603956 0.83 DHODH (0.45) ALOX5PRKDCPIK3CDPIK3CBLIMK1
SCHEMBL9603954 0.83 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBDHODH
SCHEMBL9603935 0.82 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL9603936 0.82 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBLIMK1
SCHEMBL9603960 0.81 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBDHODH
SCHEMBL8281170 0.81 ALOX5 (0.52) ALOX5PRKDCLIMK1ALDH1A1KDM4E
SCHEMBL9603963 0.80 NPC1 (0.51) ALOX5PRKDCPIK3CDPIK3CBDHODH

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 4516/4885PIK3CD 4827/4885

“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.