Sugi Predict

Sugi Predict / Compounds / SCHEMBL455860

SCHEMBL455860

SCHEMBL455860

Cc1ccc(-c2ccccc2)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL30554078 1.00 TNKS2 (0.42) TNKS2ALOX5ALDH1A1GAAL3MBTL1
SCHEMBL19275480 0.88 ALDH1A1 (0.42) ALDH1A1HSD17B1HSD17B2ESR2HPGD
SCHEMBL23333299 0.84 MCL1 (0.38) ALDH1A1HPGDCYP3A4TDP1
SCHEMBL13368941 0.84 MCL1 (0.38) ALDH1A1HPGDCYP3A4TDP1
SCHEMBL13368934 0.84 ESR1 (0.52) ALOX5ALDH1A1HSD17B1HSD17B2ESR2
SCHEMBL455953 0.82 HSD17B1 (0.42) TNKS2ALOX5ALDH1A1GAAL3MBTL1
SCHEMBL13368984 0.82 MAPT (0.53) ALDH1A1L3MBTL1HSD17B1HSD17B2MEN1
SCHEMBL22037127 0.81 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1
SCHEMBL15172688 0.81 MCL1 (0.42) ALDH1A1HSD17B1HSD17B2MEN1MAPT
SCHEMBL10391765 0.78 ALDH1A1 (0.47) ALOX5ALDH1A1GAAL3MBTL1HSD17B1

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
US-11917906-B2 Compounds that can be used in an organic electronic device MERCK PATENT GMBH (DE) 2024-02-27 — — US disclosed
CN-113410401-B Organic electroluminescent device comprising deep LUMO hole injection material and aromatic amine derivative 北京夏禾科技有限公司 2023-09-05 — — CN disclosed
US-20230234937-A1 INDENOAZANAPHTHALENES MERCK PATENT GMBH (DE) 2023-07-27 — — US disclosed
WO-2023125276-A1 ORGANIC COMPOUND AND USE THEREOF 北京鼎材科技有限公司 2023-07-06 — — WO disclosed
US-20220006018-A1 COMPOUNDS THAT CAN BE USED FOR PRODUCING AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2022-01-06 — — US disclosed
US-20210391538-A1 COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2021-12-16 — — US disclosed
US-20210384443-A1 COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE AS ACTIVE COMPOUNDS MERCK PATENT GMBH (DE) 2021-12-09 — — US disclosed
US-20210363159-A1 HETEROCYCLIC COMPOUND FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-11-25 — — US disclosed
US-20210320251-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2021-10-14 — — US disclosed
US-20210320251-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2021-10-14 — — US disclosed
EP-3196187-A1 NOVEL COMPOUND Idemitsu Kosan Co., Ltd (JP) 2017-07-26 — — EP disclosed
US-20170183291-A1 NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2017-06-29 — — US disclosed
US-20170183291-A1 NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2017-06-29 — — US disclosed
US-20170183291-A1 NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2017-06-29 — — US disclosed
US-20170117469-A1 NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2017-04-27 — — US disclosed
US-20170117469-A1 NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2017-04-27 — — US disclosed
US-20170117469-A1 NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2017-04-27 — — US disclosed
CN-106170474-A Novel compound 出光兴产株式会社 2016-11-30 — — CN disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 — — EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 — — 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 (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-20210320251-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE OLA1, TAS2R19, TMEM109 TNKS2 3833/4885ALOX5 4667/4885ALDH1A1 541/4885
US-20170183291-A1 NOVEL COMPOUND RB1, RNF10, RBBP5 TNKS2 1992/4885ALOX5 4210/4885ALDH1A1 2175/4885
US-20220006018-A1 COMPOUNDS THAT CAN BE USED FOR PRODUCING AN ORGANIC ELECTRONIC DEVICE EED, ICMT, DDT TNKS2 2386/4885ALOX5 1206/4885ALDH1A1 258/4885
US-20170117469-A1 NOVEL COMPOUND RB1, RNF10, RBBP5 TNKS2 1992/4885ALOX5 4210/4885ALDH1A1 2175/4885
US-20210363159-A1 HETEROCYCLIC COMPOUND FOR USE IN ELECTRONIC DEVICES DDT, NQO1, CYP2E1 TNKS2 2162/4885ALOX5 1537/4885ALDH1A1 215/4885
US-20230234937-A1 INDENOAZANAPHTHALENES NQO1, CYP2D6, SQOR TNKS2 1292/4885ALOX5 1357/4885ALDH1A1 280/4885

“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.