SCHEMBL256594

SCHEMBL256594

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nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
KMT2A Q03164 3/20 0.48
CTSK P43235 9/20 0.47
CTSS P25774 5/20 0.47
CYP2D6 P10635 1/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
GLS O94925 1/20 0.40

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
SCHEMBL148100 1.00 CA1 (0.52) CA1CA2CA7KMT2ACTSK
SCHEMBL17957327 1.00 CA1 (0.52) CA1CA2CA7KMT2ACTSK
SCHEMBL148099 1.00 CA1 (0.52) CA1CA2CA7KMT2ACTSK
Hydrochloric Acid SCHEMBL28175164 0.98 CA1 (0.50) CA1CA2CA7KMT2ACTSK
Hydrochloric Acid SCHEMBL28228115 0.98 CA1 (0.50) CA1CA2CA7KMT2ACTSK
Hydrochloric Acid SCHEMBL30428440 0.98 CA1 (0.50) CA1CA2CA7KMT2ACTSK
Cyclopentane SCHEMBL28225777 0.94 KMT2A (0.48) CA1CA2CA7KMT2ACTSK
SCHEMBL7057277 0.92 KMT2A (0.50) CA1CA2CA7KMT2ACTSK
SCHEMBL9980671 0.92 KMT2A (0.50) CA1CA2CA7KMT2ACTSK
Alanine SCHEMBL9180204 0.92 CA1 (0.46) CA1CA2CA7KMT2ACTSK

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 1660 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528812-B Double amino acid-genipin derivative and preparation method and application thereof 广东工业大学 2025-06-03 CN claimed
CN-119818387-A Application and synthesis method of cyclic peptide 上海中翊日化有限公司 2025-04-15 CN claimed
CN-119528812-A Double amino acid-genipin derivative and preparation method and application thereof 广东工业大学 2025-02-28 CN claimed
CN-116829523-A Phenol derivative, crystal form and preparation method thereof 天地恒一制药股份有限公司 2023-09-29 CN claimed
WO-2023143158-A1 PHENOL DERIVATIVE, CRYSTAL FORM THEREOF, AND PREPARATION METHOD THEREFOR 天地恒一制药股份有限公司 2023-08-03 WO claimed
CN-113717317-B Metal ion-loaded single-chiral helical copolymerization substituted polyacetylene and preparation method and application thereof 浙江理工大学 2023-06-27 CN claimed
CN-110117309-B Isomer impurity in enalapril maleate raw material medicine and synthesis method thereof 常州制药厂有限公司 2022-12-09 CN claimed
CN-114478627-A Allylation monophosphine ligand and preparation method thereof 湖北大学 2022-05-13 CN claimed
EP-3988538-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Zhida Pharmaceutical Co., Ltd. (CN) 2022-04-27 EP claimed
US-20220111055-A1 MODIFIED HYDROPHOBIC EXCIPIENT AND PREPARATION METHOD THEREOF ZHEJIANG ZHIDA PHARMACEUTICAL CO., LTD. (CN) 2022-04-14 US claimed
CN-113717317-A Metal ion-loaded single-chiral spiral copolymerization substituted polyacetylene, and preparation method and application thereof 浙江理工大学 2021-11-30 CN claimed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
CN-110117309-A Isomer impurities and its synthetic method in a kind of enalapril maleate bulk pharmaceutical chemicals 常州制药厂有限公司 2019-08-13 CN claimed
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
EP-2278975-B1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC (US) 2016-09-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CA1 2325/4885CA2 4105/4885CA7 3530/4885
US-20220111055-A1 MODIFIED HYDROPHOBIC EXCIPIENT AND PREPARATION METHOD THEREOF CETP, SLC43A1, SLC27A1 CA1 3287/4885CA2 4129/4885CA7 2668/4885

“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.