SCHEMBL13620958

SCHEMBL13620958

c1ccc(-c2c3ccccc3c(-c3ccccc3-c3nc4ccccc4o3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.55
USP2 O75604 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PTGS2 P35354 3/20 0.50
HSD17B10 Q99714 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TOP2A P11388 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 5/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 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
SCHEMBL13620963 0.93 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL13620962 0.91 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL13620983 0.90 NPC1 (0.54) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL13620973 0.87 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL22205293 0.86 NPC1 (0.54) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL1925604 0.86 NPC1 (0.63) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL13620965 0.85 KDM4E (0.59) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL4360878 0.84 NPC1 (0.61) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL13620964 0.84 NPC1 (0.61) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL13620975 0.84 ALDH1A1 (0.50) 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-8859108-B2 Benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-14 US disclosed
US-8859108-B2 Benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-14 US disclosed
US-20090286985-A1 Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABARATORY CO., LTD. 2009-11-19 US disclosed
US-20090286985-A1 Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABARATORY CO., LTD. 2009-11-19 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-20090286985-A1 Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Same CYP4X1, XDH, GABRA5 ALDH1A1 169/4885HPGD 700/4885KDM4E 2877/4885

“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.