SCHEMBL9968161

SCHEMBL9968161

CCC(C)c1ccc2c(c1)c1cc(C(C)CC)ccc1n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37

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
SCHEMBL12083593 0.92 GPR3 (0.52) ALDH1A1HPGDHSD17B10USP2GAA
SCHEMBL17656218 0.84 ATM (0.43) ALDH1A1HPGDHSD17B10USP2GAA
SCHEMBL20055039 0.81 RORA (0.41) ALDH1A1HPGDHSD17B10USP2GAA
SCHEMBL9968131 0.81 RORA (0.39) ALDH1A1HPGDHSD17B10USP2GAA
SCHEMBL12083594 0.79 RORA (0.46) ALDH1A1HPGDHSD17B10GAAKDM4E
SCHEMBL10133792 0.77 UGT2B7 (0.40) ALDH1A1HPGDHSD17B10USP2GAA
SCHEMBL13367633 0.77 TRIM24 (0.52) ALDH1A1HSD17B10GAAPKMKDM4E
SCHEMBL13171438 0.76 MAPT (0.58) ALDH1A1HPGDHSD17B10GAAPKM
SCHEMBL16639876 0.76 MAPT (0.58) ALDH1A1HPGDHSD17B10GAAPKM
SCHEMBL19038369 0.75 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10USP2GAA

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-8716489-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-06 US disclosed
US-8716489-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-06 US disclosed
US-20120323015-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-12-20 US disclosed
US-20120323015-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-12-20 US disclosed
US-8258310-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-04 US disclosed
US-8258310-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-04 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20100240902-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-09-23 US disclosed
US-20100240902-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-09-23 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-20120323015-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device OXA1L, GRIN1, GRIA1 ALDH1A1 62/4885HPGD 1562/4885HSD17B10 1259/4885
US-20100240902-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device OXA1L, GRIN1, GRIA1 ALDH1A1 62/4885HPGD 1562/4885HSD17B10 1259/4885

“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.