SCHEMBL2270433

SCHEMBL2270433

[c]1cccc2c(-c3cccc4ccccc34)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP2A6 P11509 3/20 0.40
NISCH Q9Y2I1 1/20 0.40
TSHR P16473 4/20 0.37
HSD17B10 Q99714 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 3/20 0.37
PTPN1 P18031 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
KEAP1 Q14145 1/20 0.35
POLB P06746 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL2274793 0.92 ALDH1A1 (0.40) ALDH1A1CYP2A6NISCHTSHRHSD17B10
SCHEMBL20774140 0.91 HPRT1 (0.50) ALDH1A1CYP2A6NISCHTSHRHSD17B10
SCHEMBL2318595 0.89 CYP1A2 (0.32) CYP2A6CYP1A2
SCHEMBL20774105 0.88 ALDH1A1 (0.41) ALDH1A1CYP2A6NISCHTSHRHSD17B10
SCHEMBL352178 0.88
SCHEMBL3783406 0.85 ALDH1A1 (0.46) ALDH1A1CYP2A6NISCHTSHRHSD17B10
SCHEMBL10973920 0.85
SCHEMBL20773996 0.83 HPRT1 (0.50) ALDH1A1CYP2A6NISCHTSHRHSD17B10
SCHEMBL20773998 0.81 ALDH1A1 (0.41) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL20773932 0.80 ALDH1A1 (0.41) ALDH1A1CYP2A6NISCHTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 CN disclosed
CN-111670407-B Light modulation component 国立大学法人名古屋工业大学 2023-04-07 CN disclosed
US-11072573-B2 Binaphthyl compounds REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-07-27 US disclosed
US-20200354299-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-11-12 US disclosed
CN-111722483-A Electrophotographic photoreceptor, process cartridge, and image forming apparatus 富士施乐株式会社 2020-09-29 CN disclosed
CN-111670407-A Light modulation component 国立大学法人名古屋工业大学 2020-09-15 CN disclosed
EP-3676239-A1 BINAPHTHYL COMPOUNDS Reuter Chemische Apparatenbau e.K. (DE) 2020-07-08 EP disclosed
CN-111094223-A Binaphthyl compounds 罗伊特化学仪器制造公司 2020-05-01 CN disclosed
WO-2019043060-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU KG (DE) 2019-03-07 WO disclosed
CN-104159977-B Thermoplastic resin composition 日本乳化剂株式会社 2017-09-12 CN disclosed
CN-104334523-A Ion-binding salt having reactive group and thermoplastic resin composition containing same NIPPON NYUKAZAI CO LTD 2015-02-04 CN disclosed
CN-102236255-B Colored photosensitive resin composition, pattern forming method, color filter and manufacture thereof and display device FUJI PHOTO FILM CO LTD 2014-11-26 CN disclosed
CN-104159977-A Thermoplastic resin composition NIPPON NYUKAZAI CO LTD 2014-11-19 CN disclosed
US-8512878-B2 Diaminopyrene derivative and organic EL device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-20 US disclosed
CN-101743265-B Anthracene polymer compound and light-emitting device using the same SUMITOMO CHEMICAL CO 2012-12-26 CN disclosed
CN-102236255-A Colored photosensitive resin composition, pattern forming method, color filter and manufacture thereof and display device FUJI PHOTO FILM CO LTD 2011-11-09 CN disclosed
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 US disclosed
CN-102073216-A Colored photosensitive resin composition, pattern forming method, manufacture method for color filter, color filter, and display apparatus FUJI PHOTO FILM CO LTD 2011-05-25 CN disclosed
CN-101743265-A Anthracene polymer compound and light-emitting device using the same SUMITOMO CHEMICAL CO 2010-06-16 CN 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-20200354299-A1 BINAPHTHYL COMPOUNDS UACA, C9, C1S ALDH1A1 1476/4885CYP2A6 236/4885NISCH 1196/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S ALDH1A1 1476/4885CYP2A6 236/4885NISCH 1196/4885
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME ELP1, EED, ESR1 ALDH1A1 237/4885CYP2A6 3644/4885NISCH 4387/4885

“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.