SCHEMBL5050876

SCHEMBL5050876

Clc1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
S100A4 P26447 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
CYP2A6 P11509 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD11B1 P28845 1/20 0.44
BACE1 P56817 1/20 0.44
CSNK2A1 P68400 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
SCHEMBL31677416 0.95 S100A4 (0.57) CYP1A2S100A4PTGDR2CYP2A6KMT2A
SCHEMBL9509941 0.95 CYP1A2 (0.61) CYP1A2S100A4PTGDR2CYP2A6KMT2A
SCHEMBL20023630 0.95 CYP1A2 (0.61) CYP1A2S100A4PTGDR2CYP2A6KMT2A
SCHEMBL6564638 0.95 CYP1A2 (0.61) CYP1A2S100A4PTGDR2CYP2A6KMT2A
SCHEMBL23319026 0.91 CYP1A2 (0.50) CYP1A2S100A4PTGDR2CYP2A6KMT2A
SCHEMBL11820187 0.91 NPC1 (0.47) CYP1A2S100A4PTGDR2CYP2A6KMT2A
SCHEMBL31677417 0.91 S100A4 (0.57) CYP1A2S100A4PTGDR2CYP2A6KMT2A
SCHEMBL26805880 0.88 ALDH1A1 (0.52) CYP1A2S100A4PTGDR2CYP2A6KMT2A
SCHEMBL24972708 0.88 MAPT (0.49) CYP1A2S100A4PTGDR2KMT2AALDH1A1
SCHEMBL28114876 0.88 ALOX5 (0.53) CYP1A2PTGDR2KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240244860-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-11832457-B2 Nitrogen-containing compound, and organic electroluminescent device and electronic apparatus thereof SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-28 US disclosed
US-20230337534-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-19 US disclosed
US-11778901-B2 Organic electroluminescent material and organic electroluminescent device comprising same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-03 US disclosed
US-11778901-B2 Organic electroluminescent material and organic electroluminescent device comprising same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-03 US disclosed
US-20220149278-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-05-12 US disclosed
US-10476008-B2 Compound for organic optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2019-11-12 US disclosed
US-20170317293-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-11-02 US disclosed
US-20170317293-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-11-02 US disclosed
CN-100381421-C Process for producing triarylsulfonium salt WAKO PURE CHEM IND LTD (JP) 2008-04-16 CN disclosed
US-20080075950-A1 Electron-Conjugated Organic Silane Compound, Functional Organic Thin Film And Production Method Thereof SHARP KABUSHIKI KAISHA (JP) 2008-03-27 US disclosed
CN-1871212-A Process for producing triarylsulfonium salt WAKO PURE CHEM IND LTD (JP) 2006-11-29 CN disclosed
EP-0396943-B1 Optical storage medium and storage process NIPPON TELEGRAPH & TELEPHONE (JP) 1995-07-05 EP disclosed
EP-0423479-B1 METHOD FOR THE PRODUCTION OF 4,4'-DIHALOGENATED OLIGOPHENYLS BAYER AG (DE) 1993-08-11 EP disclosed
US-5124944-A OPTICAL STORAGE MEDIUM AND STORAGE PROCESS NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1992-06-23 US disclosed
US-5053566-A Catalysis reaction with bromine or chlorine halogenating agent, in the presence of methylene chloride and metal cation containing Type-L zeolite BAYER AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
EP-0423479-A1 Method for the production of 4,4'-dihalogenated oligophenyls BAYER AG (DE) 1991-04-24 EP disclosed
EP-0396943-A2 Optical storage medium and storage process NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1990-11-14 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 (7 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-20080075950-A1 Electron-Conjugated Organic Silane Compound, Functional Organic Thin Film And Production Method Thereof AOX1, QSOX1, AOC3 CYP1A2 341/4885S100A4 808/4885PTGDR2 4410/4885
US-11832457-B2 Nitrogen-containing compound, and organic electroluminescent device and electronic apparatus thereof NUDC, SLC29A2, SLC6A19 CYP1A2 3917/4885S100A4 562/4885PTGDR2 4275/4885
US-11778901-B2 Organic electroluminescent material and organic electroluminescent device comprising same MAOA, AOC1, AOC2 CYP1A2 703/4885S100A4 1756/4885PTGDR2 3392/4885
US-20220149278-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME MAOA, AOC1, AOC2 CYP1A2 661/4885S100A4 1801/4885PTGDR2 3425/4885
US-20170317293-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 CYP1A2 402/4885S100A4 1566/4885PTGDR2 432/4885
US-10476008-B2 Compound for organic optoelectric device and organic optoelectric device and display device OXER1, OCIAD1, OR10J3 CYP1A2 402/4885S100A4 1566/4885PTGDR2 432/4885
US-20230337534-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF NUDC, SLC29A2, SLC6A19 CYP1A2 3917/4885S100A4 562/4885PTGDR2 4275/4885

“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.