SCHEMBL31725

SCHEMBL31725

O=[N+]([O-])c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
TDP1 Q9NUW8 4/20 0.57
HPRT1 P00492 1/20 0.51
MAPT P10636 2/20 0.49
GUSB P08236 1/20 0.49
MEN1 O00255 1/20 0.49
F2 P00734 1/20 0.49
C1R P00736 1/20 0.49
KMT2A Q03164 1/20 0.49
S100A4 P26447 2/20 0.49
TSHR P16473 1/20 0.49
PTPRC P08575 1/20 0.49
CASP6 P55212 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
APAF1 O14727 1/20 0.46
ATM Q13315 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46

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
SCHEMBL30443747 1.00 ALDH1A1 (0.71) ALDH1A1TDP1HPRT1MAPTGUSB
SCHEMBL29848512 1.00 ALDH1A1 (0.71) ALDH1A1TDP1HPRT1MAPTGUSB
SCHEMBL15055546 0.92 TDP1 (0.67) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL17841980 0.91 HPRT1 (0.65) ALDH1A1TDP1HPRT1MAPTGUSB
SCHEMBL15821069 0.91 HPRT1 (0.65) ALDH1A1TDP1HPRT1MAPTGUSB
SCHEMBL16582329 0.88 ALDH1A1 (0.63) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL11597781 0.87 ALDH1A1 (0.65) ALDH1A1TDP1HPRT1MAPTGUSB
SCHEMBL22946064 0.87 ALDH1A1 (0.65) ALDH1A1TDP1HPRT1MAPTGUSB
SCHEMBL22211955 0.87 ALDH1A1 (0.59) ALDH1A1TDP1HPRT1MAPTGUSB
SCHEMBL14183908 0.84 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1MAPTGUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019563-A1 COMPOSITION INCLUDING ADDITION CONDENSATION PRODUCT OF AROMATIC COMPOUND AND CARBONYL COMPOUND AND THIOL COMPOUND, METHOD FOR PRODUCING COMPOSITION, SCALE ADHESION PREVENTION AGENT, REACTION APPARATUS, POLYMER, AND METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-01-16 US disclosed
US-20240400514-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2024-12-05 US disclosed
US-12077500-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD (JP) 2024-09-03 US disclosed
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 US disclosed
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 US disclosed
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD (JP) 2023-08-29 US disclosed
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD (JP) 2023-08-29 US disclosed
CN-113881954-B Method for synthesizing carbazole parent through Cadogan reaction 中钢集团南京新材料研究院有限公司 2023-05-19 CN disclosed
US-20220363637-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2022-11-17 US disclosed
US-11380848-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-07-05 US disclosed
US-5219938-A Reacting a living polymer of a conjugated diene with a tin or silicon compound and with a nitro compound, a phosphoryl chloride, aminosilane, an acrylamide or an aminovinylsilane; auto tires; impact strength; cold resistance; storage SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-15 US disclosed
US-5128416-A Automobile tire treads SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-07 US disclosed
US-5015692-A Rubbers for tires having impact strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-14 US disclosed
US-4957976-A IMPROVED PROPERTIES FOR AUTOMOBILE TIRES, MODIFIED WITH PHOSPHORYL CHLORIDE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1990-09-18 US disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (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-11380848-B2 Organic compound and organic electroluminescence device using the same OCIAD1, SLCO4C1, ODC1 ALDH1A1 236/4885TDP1 1252/4885HPRT1 206/4885
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, CCNL2, CTNND1 ALDH1A1 1871/4885TDP1 3798/4885HPRT1 2086/4885
US-20240400514-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, CCNL2, CTNND1 ALDH1A1 1871/4885TDP1 3798/4885HPRT1 2086/4885
US-20220363637-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, CCNL2, CTNND1 ALDH1A1 1871/4885TDP1 3798/4885HPRT1 2086/4885
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device L1CAM, CCNL2, CTNND1 ALDH1A1 1871/4885TDP1 3798/4885HPRT1 2086/4885
US-12077500-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device L1CAM, CCNL2, CTNND1 ALDH1A1 1871/4885TDP1 3798/4885HPRT1 2086/4885

“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.