SCHEMBL4238282

SCHEMBL4238282

CC(C)(C)c1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
CDC25B P30305 1/20 0.65
ATM Q13315 1/20 0.65
HSD17B10 Q99714 1/20 0.65
RAB9A P51151 1/20 0.61
CCR4 P51679 5/20 0.57
FADS1 O60427 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL30012692 1.00 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL25125706 0.87 KDR (0.49) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL29458819 0.87 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL3356481 0.87 CYP3A4 (0.66) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL29619354 0.85 HSD17B10 (0.87) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL651572 0.85 HSD17B10 (0.87) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL21234619 0.85 CDC25B (0.58) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL9472954 0.84 CDC25B (0.57) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL17546531 0.83 AKR1C3 (0.45) ALDH1A1TP53HPGDALOX15TSHR
SCHEMBL38589 0.83 CDC25B (0.56) ALDH1A1TP53CYP3A4HPGDALOX15

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478266-A Amine compound, ester amine compound, preparation method and application thereof, and antioxidant composition 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114478288-A Ester compound, preparation method and application thereof, and antioxidant composition 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114479987-A Amine compound and preparation method and application thereof 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114478282-A Amine compound, ester compound, preparation method and application thereof, and antioxidant composition 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114478289-A Ester compound, preparation method and application thereof, and antioxidant composition 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114479988-B Antioxidant composition and preparation method thereof CHINA PETROLEUM & CHEMICAL CORP. (CN) 2023-11-10 CN disclosed
US-11793070-B2 Compound for organic electronic element, organic electronic element using the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-17 US disclosed
US-11793070-B2 Compound for organic electronic element, organic electronic element using the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-17 US disclosed
CN-114479986-B Antioxidant composition and preparation method thereof 中国石油化工股份有限公司 2023-10-10 CN disclosed
US-20230159566-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME SFC CO., LTD. (KR) 2023-05-25 US disclosed
US-20230159566-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME SFC CO., LTD. (KR) 2023-05-25 US disclosed
CN-115960651-A Antioxidant composition and preparation method thereof 中国石油化工股份有限公司 2023-04-14 CN disclosed
US-20170244047-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE DUK SAN NEOLUX CO., LTD. (KR) 2017-08-24 US disclosed
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 US disclosed
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 US disclosed
WO-2016126035-A1 ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-08-11 WO disclosed
WO-2016032137-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-03-03 WO disclosed
WO-2016013816-A1 ORGANIC ELECTRICAL ELEMENT USING COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2016-01-28 WO disclosed
WO-2015041416-A1 ORGANIC ELECTRICAL ELEMENT USING COMPOUNDS FOR ORGANIC ELECTRICAL ELEMENT AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2015-03-26 WO disclosed
EP-2055763-A1 Lubricating oil composition Shell Internationale Research Maatschappij B.V. (NL) 2009-05-06 EP 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-20230159566-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CLTB, CD79B, CYBA ALDH1A1 92/4885TP53 3968/4885CYP3A4 821/4885
US-11793070-B2 Compound for organic electronic element, organic electronic element using the same, and electronic device thereof OR51E2, ETV6, OR10J3 ALDH1A1 1727/4885TP53 2755/4885CYP3A4 1806/4885
US-20170244047-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE NFE2L2, LAGE3, OR51E2 ALDH1A1 832/4885TP53 4058/4885CYP3A4 770/4885
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 ALDH1A1 743/4885TP53 3156/4885CYP3A4 1446/4885

“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.