SCHEMBL9603972

SCHEMBL9603972

c1cc(-c2ccc(-c3nc4ccccc4o3)cc2)cc(-c2cccc3c2oc2ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
TP53 P04637 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 1/20 0.49
PTGS2 P35354 2/20 0.45
USP2 O75604 2/20 0.44
MAPT P10636 2/20 0.44
DHODH Q02127 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL9603978 0.95 ALOX5 (0.52) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL9603968 0.94 ALOX5 (0.53) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL9603977 0.92 NPC1 (0.54) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL23079698 0.92 ALOX5 (0.50) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL9604036 0.91 ALOX5 (0.52) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL9603967 0.91 NPC1 (0.55) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL23079770 0.91 TP53 (0.46) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL9604025 0.89 ALOX5 (0.49) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL9604027 0.89 VSIR (0.49) ALOX5NPC1ALDH1A1KDM4ETP53
SCHEMBL23606991 0.88 TP53 (0.48) ALOX5NPC1ALDH1A1KDM4ETP53

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 4611/4885ALDH1A1 112/4885

“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.