SCHEMBL9603970

SCHEMBL9603970

c1ccc(-c2ccccc2-c2cccc3c2oc2ccccc23)c(-c2nc3ccccc3o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 7/20 0.51
KDM4E B2RXH2 6/20 0.51
MAPT P10636 6/20 0.51
USP2 O75604 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TOP2A P11388 1/20 0.50
ALOX5 P09917 3/20 0.49
HSD17B10 Q99714 6/20 0.47
NPC1 O15118 5/20 0.47
TP53 P04637 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL9603965 1.00 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL9603969 0.94 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL29202874 0.94 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL9603976 0.93 ALOX5 (0.51) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL9603966 0.89 NPC1 (0.52) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL9603973 0.86 KDM4E (0.54) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL9603967 0.85 NPC1 (0.55) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL9603977 0.84 NPC1 (0.54) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL12854009 0.83 TOP2A (0.60) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL9603968 0.83 ALOX5 (0.53) ALDH1A1HPGDKDM4EMAPTUSP2

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 ALDH1A1 112/4885HPGD 840/4885KDM4E 2142/4885

“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.