SCHEMBL9603997

SCHEMBL9603997

c1ccc(-c2cccc3c2oc2c(-c4cccc(-c5nc6ccccc6o5)c4)cccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.53
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 4/20 0.50
USP2 O75604 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.46
PTGS2 P35354 1/20 0.45
HCRTR1 O43613 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL9603968 0.92 ALOX5 (0.53) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL9603995 0.92 NPC1 (0.55) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL9603978 0.91 ALOX5 (0.52) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL9603985 0.90 KDM4E (0.50) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL9603998 0.87 TP53 (0.48) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL25459639 0.86 TP53 (0.44) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL25459423 0.86 TP53 (0.44) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL23606991 0.86 TP53 (0.48) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL9603972 0.86 ALOX5 (0.53) TP53KDM4EALDH1A1HPGDMAPT
SCHEMBL25459495 0.85 NPC1 (0.44) TP53KDM4EALDH1A1HPGDMAPT

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 TP53 4876/4885KDM4E 2142/4885ALDH1A1 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.