SCHEMBL835222

SCHEMBL835222

c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4oc(-c5ccc(-c6ccc(-c7ccc(-c8ccccn8)nc7-c7ccc(-c8ccc(-c9nc%10c(-c%11ccc(-c%12ccccc%12)cc%11)ccc(-c%11ccc(-c%12ccccc%12)cc%11)c%10o9)cc8)cc7)cc6)cc5)nc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 5/20 0.43
RAB9A P51151 4/20 0.43
PKM P14618 4/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 4/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KLF5 Q13887 1/20 0.43
NPC1 O15118 3/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PADI1 Q9ULC6 1/20 0.37
PADI3 Q9ULW8 1/20 0.37
PADI4 Q9UM07 1/20 0.37
PADI2 Q9Y2J8 1/20 0.37
TGFBR1 P36897 1/20 0.36

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
SCHEMBL835099 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL835235 0.95 TP53 (0.39) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL835105 0.93 TP53 (0.41) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL834479 0.92 HSD17B10 (0.48) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL834844 0.92 HSD17B10 (0.48) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL834750 0.90 SMN1; SMN2 (0.42) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL834383 0.87 PDK2 (0.36) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL834213 0.86 ALDH1A1 (0.42) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL834770 0.86 PDK2 (0.34) SMN1; SMN2TP53RAB9APKMKDM4E
SCHEMBL834154 0.85 PDK2 (0.35) SMN1; SMN2TP53RAB9APKMKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY 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 (2 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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 SMN1; SMN2 4106/4885TP53 4877/4885RAB9A 3557/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 SMN1; SMN2 3978/4885TP53 4875/4885RAB9A 3455/4885

“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.