SCHEMBL5594716

SCHEMBL5594716

CC1(C)NC(C)(C)c2cccc3cccc1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 8/20 0.39
HSD17B10 Q99714 6/20 0.39
HPGD P15428 6/20 0.39
TSHR P16473 5/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPT P10636 8/20 0.39
KDM4E B2RXH2 7/20 0.39
GAA P10253 5/20 0.39
APP P05067 2/20 0.39
SNCA P37840 2/20 0.39
NSD2 O96028 1/20 0.39
TYMS P04818 1/20 0.39
THRB P10828 1/20 0.37
PARP1 P09874 1/20 0.37
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34

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
SCHEMBL2191872 0.76 PDK2 (0.41)
SCHEMBL24728495 0.76 RAD52 (0.37) RAD52ALDH1A1HSD17B10HPGDTSHR
SCHEMBL14262737 0.73 RAD52 (0.41) RAD52ALDH1A1HSD17B10HPGDTSHR
SCHEMBL14392561 0.73 ALDH1A1 (0.41) RAD52ALDH1A1HSD17B10HPGDTSHR
SCHEMBL30041484 0.73 KMT2A (0.46) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL21663225 0.71 PARP1 (0.40) RAD52ALDH1A1HSD17B10HPGDTSHR
SCHEMBL15159269 0.70
SCHEMBL31395712 0.70 ALDH1A1 (0.50) RAD52ALDH1A1HSD17B10HPGDTSHR
SCHEMBL14392692 0.70 PDK2 (0.39) ALDH1A1HSD17B10CYP3A4MAPTKDM4E
SCHEMBL5594041 0.70 ALDH1A1 (0.38) RAD52ALDH1A1HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807616-B2 Organic compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-07 US disclosed
US-11723271-B2 Organic compound, and electronic component and electronic device therefor SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-08 US disclosed
US-20230200234-A1 ORGANIC COMPOUND, AND ELECTRONIC COMPONENT AND ELECTRONIC DEVICE THEREFOR SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
WO-2022170022-A1 OXIDATION RESISTANT POLYMERS FOR USE AS ANION EXCHANGE MEMBRANES AND IONOMERS UNIVERSITY OF DELAWARE (US) 2022-08-11 WO disclosed
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 US disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
WO-2007124543-A1 PROFLUORESCENT NITROXIDE COMPOUNDS QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2007-11-08 WO disclosed
WO-2007124543-A1 PROFLUORESCENT NITROXIDE COMPOUNDS QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2007-11-08 WO 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 (4 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-20230200234-A1 ORGANIC COMPOUND, AND ELECTRONIC COMPONENT AND ELECTRONIC DEVICE THEREFOR OR51E2, CYP4F11, OR10J3 RAD52 3046/4885ALDH1A1 1310/4885HSD17B10 1211/4885
US-11723271-B2 Organic compound, and electronic component and electronic device therefor OR51E2, CYP4F11, OR10J3 RAD52 3046/4885ALDH1A1 1310/4885HSD17B10 1211/4885
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE EXOC1, EXOC4, CHRM1 RAD52 2009/4885ALDH1A1 1115/4885HSD17B10 3103/4885
US-11807616-B2 Organic compound, and electronic element and electronic device using same PIEZO1, OR10J3, OR51E2 RAD52 3555/4885ALDH1A1 434/4885HSD17B10 2694/4885

“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.