SCHEMBL991835

SCHEMBL991835

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nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.43
ALDH1A1 P00352 3/20 0.42
TYR P14679 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8869145 1.00 CASP1 (0.43) CASP1ALDH1A1TYRTDP1MAPT
SCHEMBL10882651 1.00 CASP1 (0.43) CASP1ALDH1A1TYRTDP1MAPT
SCHEMBL30583203 0.93 MME (0.40) CASP1ALDH1A1TYRTDP1MAPT
SCHEMBL29962128 0.93 MME (0.40) CASP1ALDH1A1TYRTDP1MAPT
SCHEMBL10457950 0.87 MAPT (0.41) CASP1ALDH1A1TDP1MAPTMEN1
SCHEMBL10457949 0.87 MAPT (0.41) CASP1ALDH1A1TDP1MAPTMEN1
SCHEMBL12285510 0.85 BACE1 (0.40) CASP1ALDH1A1TYRTDP1MAPT
SCHEMBL14862094 0.85 BACE1 (0.40) CASP1ALDH1A1TYRTDP1MAPT
SCHEMBL12245283 0.85 BACE1 (0.40) CASP1ALDH1A1TYRTDP1MAPT
SCHEMBL10608088 0.85 CASP1 (0.37) CASP1ALDH1A1TYRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456781-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2017-06-21 EP claimed
US-9096639-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-acyloxyalkylene phenyl derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US claimed
US-20120232042-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-13 US claimed
EP-2456781-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES Bayer Pharma Aktiengesellschaft (DE) 2012-05-30 EP claimed
WO-2011009530-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 WO claimed
US-12625431-B2 EUV resist underlayer film-forming composition NISSAN CHEMICAL CORPORATION (JP) 2026-05-12 US disclosed
CN-115053184-B Composition for forming EUV resist underlayer film 日产化学株式会社 2024-12-06 CN disclosed
US-20240140991-A1 ANTIBIOTIC NATURAL PRODUCT ANALOGUES UNIV BELFAST (GB) 2024-05-02 US disclosed
EP-4284816-A1 ANTIBIOTIC NATURAL PRODUCT ANALOGUES The Queen's University of Belfast (GB) 2023-12-06 EP disclosed
CN-114751962-B Staple peptide, preparation method and pharmaceutical application thereof 北京大学 2023-11-07 CN disclosed
US-20230098881-A1 EUV RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-03-30 US disclosed
EP-3475284-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2022-11-02 EP disclosed
WO-2011009530-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 WO disclosed
US-5665746-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
US-5594135-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-01-14 US disclosed
US-5589473-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1996-12-31 US disclosed
EP-0675122-A2 Mono or bicyclic DNA gyrase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-10-04 EP disclosed
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed
US-4868061-A ADDITION POLYMERS, ULTRAVIOLET RADIATION STABILIZERS THE STANDARD OIL COMPANY (US) 1989-09-19 US disclosed
EP-0082648-A2 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-29 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 (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-20120232042-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES CYP19A1, HSD17B11, SHBG CASP1 2172/4885ALDH1A1 765/4885TYR 4278/4885
US-12625431-B2 EUV resist underlayer film-forming composition EEF1A1, ARF1, EMG1 CASP1 3186/4885ALDH1A1 2046/4885TYR 2210/4885
US-20240140991-A1 ANTIBIOTIC NATURAL PRODUCT ANALOGUES NRDC, RPS14, SCN11A CASP1 2305/4885ALDH1A1 3391/4885TYR 2091/4885

“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.