SCHEMBL16623896

SCHEMBL16623896

Nc1cccc2c1c1cccc(N)c1c1cccc(N)c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
CYP3A4 P08684 4/20 0.65
HPGD P15428 3/20 0.65
TSHR P16473 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
HSD17B10 Q99714 2/20 0.65
KEAP1 Q14145 2/20 0.52
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
NR4A2 P43354 1/20 0.48
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CA P42336 1/20 0.45
CRHBP P24387 1/20 0.44

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
SCHEMBL29788293 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL30565110 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL18600594 0.89 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL1351306 0.88 ALDH1A1 (0.58) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL22990637 0.84 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL1892202 0.81 ALDH1A1 (0.67) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL17781311 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL29365003 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL48843 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTSHRTDP1
SCHEMBL6864432 0.77 ALDH1A1 (0.68) ALDH1A1CYP3A4HPGDTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116581386-B Additive for lithium metal battery, electrolyte and lithium metal battery 北京民利储能技术有限公司 2024-05-28 CN claimed
CN-116581386-A Additive for lithium metal battery, electrolyte and lithium metal battery 北京民利储能技术有限公司 2023-08-11 CN claimed
CN-115957704-A Conjugated microporous polymer coated nano-silica microsphere, and preparation and application thereof 中国科学院大连化学物理研究所 2023-04-14 CN claimed
CN-114890917-A Asymmetric branched non-phenolic color developing agent and synthesis method thereof 沈阳感光化工研究院有限公司 2022-08-12 CN claimed
CN-106565408-B 1,5, 9-trisubstituted coronene compound and synthesis method thereof 上海大学 2019-12-06 CN claimed
CN-109575079-A A kind of sulphur nitrogen phosphorous heterocylic compound and preparation method and application 西北工业大学 2019-04-05 CN claimed
CN-109575080-A A kind of oxynitride phosphor heterocyclic compound and preparation method and application 西北工业大学 2019-04-05 CN claimed
CN-106565408-A 1, 5, 9-trisubstituted coronene compound and synthesis method thereof 上海大学 2017-04-19 CN claimed
CN-104974156-B 1, 5, 9-triazanaphthalene coronene compound and synthetic method thereof 上海大学 2017-02-01 CN claimed
CN-104974156-A 1, 5, 9-triazanaphthalene coronene compound and synthetic method thereof UNIV SHANGHAI 2015-10-14 CN claimed
WO-2025260810-A1 ADSORBENT FOR TREATING CHEMICAL WASTEWATER, AND PREPARATION METHOD 杭州回水科技股份有限公司 2025-12-26 WO disclosed
US-20250314910-A1 SYSTEM AND METHOD FOR PRODUCTION OF POLYDIKETOENAMINE BASED RENEWABLE PLASTIC FLO MATERIALS, INC. (US) 2025-10-09 US disclosed
CN-116581386-B Additive for lithium metal battery, electrolyte and lithium metal battery 北京民利储能技术有限公司 2024-05-28 CN disclosed
WO-2023212648-A2 SYSTEM AND METHOD FOR PRODUCTION OF A POLYDIKETONAMINE BASED RENEWABLE PLASTIC FLO MATERIALS, INC. (US) 2023-11-02 WO disclosed
CN-116581386-A Additive for lithium metal battery, electrolyte and lithium metal battery 北京民利储能技术有限公司 2023-08-11 CN disclosed
CN-104974156-B 1, 5, 9-triazanaphthalene coronene compound and synthetic method thereof 上海大学 2017-02-01 CN disclosed
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND SK MATERIALS JNC CO., LTD. (KR) 2016-02-18 US disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
CN-104974156-A 1, 5, 9-triazanaphthalene coronene compound and synthetic method thereof UNIV SHANGHAI 2015-10-14 CN disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 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 (1 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-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 ALDH1A1 1610/4885CYP3A4 614/4885HPGD 3954/4885

“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.