SCHEMBL16670455

SCHEMBL16670455

NC(c1cccc2c1ccc1ccccc12)c1cccc2c1ccc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.58
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
CYP2A6 P11509 1/20 0.50
CYP1A2 P05177 5/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PAX8 Q06710 1/20 0.43
HPGD P15428 3/20 0.43
CYP1B1 Q16678 2/20 0.43
HIF1A Q16665 2/20 0.43
THRB P10828 1/20 0.43
CYP3A4 P08684 2/20 0.41
KEAP1 Q14145 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL1683318 0.87 ALDH1A1 (0.60) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL9296413 0.84 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL2233265 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL22288225 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL12901608 0.78 ALDH1A1 (0.56) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL25510 0.76 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1TSHR
Chrysene SCHEMBL27115 0.76 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1TSHR
Chrysene SCHEMBL9786466 0.76 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL31177955 0.76 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1TSHR
Chrysene SCHEMBL30433768 0.76 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279961-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-07-19 EP disclosed
US-20230142222-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-11 US disclosed
US-20230128732-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230131577-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-04-27 US disclosed
EP-4144817-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-03-08 EP disclosed
EP-4144816-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-03-08 EP disclosed
US-11600786-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-03-07 US disclosed
EP-4130193-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-02-08 EP disclosed
US-20220416177-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2022-12-29 US disclosed
CN-115443552-A Material for organic electroluminescent element and organic electroluminescent element 日铁化学材料株式会社 2022-12-06 CN disclosed
EP-3439059-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2019-02-06 EP disclosed
EP-3439060-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2019-02-06 EP disclosed
US-20180254426-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-09-06 US disclosed
US-20180083201-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2018-03-22 US disclosed
EP-3279963-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2018-02-07 EP disclosed
EP-3279961-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2018-02-07 EP disclosed
EP-2933851-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2017-05-10 EP disclosed
US-20150325796-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2933851-A1 ORGANIC ELECTRICAL FIELD LIGHT-EMITTING ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2015-10-21 EP disclosed
US-20150115240-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-04-30 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 (6 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-20230131577-A1 ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, EPB41, EPB41L2 HPRT1 2362/4885ALDH1A1 704/4885HSD17B10 2739/4885
US-20180083201-A1 ORGANIC ELECTROLUMINESCENT ELEMENT ELF3, LAGE3, ILF3 HPRT1 1371/4885ALDH1A1 432/4885HSD17B10 3269/4885
US-20180254426-A1 ORGANIC ELECTROLUMINESCENT ELEMENT LAGE3, H1-3, ILF3 HPRT1 827/4885ALDH1A1 374/4885HSD17B10 2666/4885
US-20220416177-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING SAME NR4A3, NR4A1, NR4A2 HPRT1 2856/4885ALDH1A1 2564/4885HSD17B10 3607/4885
US-11600786-B2 Organic electroluminescent element ELF3, LAGE3, ILF3 HPRT1 1371/4885ALDH1A1 432/4885HSD17B10 3269/4885
US-20230142222-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, CTNNA1, CCNT1 HPRT1 1887/4885ALDH1A1 161/4885HSD17B10 2378/4885

“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.