SCHEMBL22258696

SCHEMBL22258696

CC(C)c1cccc(-c2ccc3sc4ccccc4c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
GPR3 P46089 1/20 0.44
PTPN5 P54829 2/20 0.43
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PAX8 Q06710 1/20 0.38
NOD2 Q9HC29 1/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
ALOX5 P09917 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
SCHEMBL17228739 0.89 RXRA (0.38) RXRARXRBRXRGGPR3PTPN5
SCHEMBL9916222 0.87 GPR3 (0.47) GPR3PTPN5MAPTRAB9AL3MBTL1
SCHEMBL9916238 0.87 GPR3 (0.47) GPR3PTPN5MAPTRAB9AL3MBTL1
SCHEMBL9916231 0.87 GPR3 (0.47) GPR3PTPN5MAPTRAB9AL3MBTL1
SCHEMBL14295237 0.84 RXRA (0.44) RXRARXRBRXRGPTPN5MAPT
SCHEMBL1102421 0.83 GPR3 (0.54) GPR3MAPTRAB9AL3MBTL1PAX8
SCHEMBL15315547 0.83 MAPT (0.44) RXRARXRBRXRGGPR3PTPN5
SCHEMBL15855168 0.83 GPR3 (0.58) GPR3MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL15855164 0.83 GPR3 (0.58) GPR3MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL15855169 0.83 GPR3 (0.58) GPR3MAPTRAB9AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134228-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-20 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-11211568-B2 Compound for organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2021-12-28 US disclosed
EP-3750875-A2 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND PHOTOELECTRIC CONVERSION DEVICE Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) 2020-12-16 EP disclosed
US-20200235311-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 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 (3 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-11211568-B2 Compound for organic electroluminescence device using the same OR10J3, PIEZO1, ICMT RXRA 4079/4885RXRB 4391/4885RXRG 4142/4885
US-20200235311-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME OR10J3, PIEZO1, ICMT RXRA 4079/4885RXRB 4391/4885RXRG 4142/4885
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE EXOC1, EXOC4, CHRM1 RXRA 1703/4885RXRB 1885/4885RXRG 2626/4885

“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.