Sugi Predict

Sugi Predict / Compounds / SCHEMBL9604042

SCHEMBL9604042

SCHEMBL9604042

CC(C)(C)c1ccc(-c2cccc3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)oc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.45
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ GFER P55789 1/20 0.43
▸ S1PR1 P21453 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ TNKS O95271 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
SCHEMBL9604011 0.88 ALOX5 (0.45) ALOX5NPC1RAB9ATP53DHODH
SCHEMBL9604034 0.87 ALOX5 (0.51) ALOX5NPC1RAB9ATP53DHODH
SCHEMBL18022276 0.87 ALOX5 (0.56) ALOX5S1PR1ALDH1A1MEN1KMT2A
SCHEMBL8281447 0.86 S1PR1 (0.56) ALOX5NPC1RAB9AS1PR1TP53
SCHEMBL9604044 0.86 NPC1 (0.52) ALOX5NPC1RAB9ATP53DHODH
SCHEMBL9604035 0.86 DHODH (0.53) ALOX5NPC1RAB9ATP53DHODH
SCHEMBL9604038 0.85 ALOX5 (0.49) ALOX5NPC1RAB9ATP53DHODH
SCHEMBL9604032 0.84 ALOX5 (0.48) ALOX5NPC1RAB9ATP53DHODH
SCHEMBL9604031 0.84 ALOX5 (0.48) ALOX5NPC1RAB9ATP53DHODH
SCHEMBL9604018 0.84 ALOX5 (0.48) ALOX5NPC1RAB9ATP53DHODH

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 720/4885NPC1 4611/4885RAB9A 3002/4885

“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.