SCHEMBL4537628

SCHEMBL4537628

OCC(COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
TSHR P16473 2/20 0.50
TACR1 P25103 2/20 0.46
SLC1A1 P43005 3/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL828589 1.00 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL8904530 1.00 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL19068463 0.96 CA1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL19043237 0.93 TSHR (0.45) CA1CA2CA7CA9TSHR
SCHEMBL4535810 0.88 TSHR (0.58) CA1CA2CA7CA9TSHR
SCHEMBL5831617 0.88 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL1105206 0.88 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL14305767 0.87 TSHR (0.46) CA1CA2CA7CA9TSHR
SCHEMBL11932961 0.86 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL227684 0.86 TSHR (0.48) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119114040-B Preparation method and application of bionic phospholipid membrane monolithic column for screening and separating antimicrobial peptides 佛山大学 2025-02-14 CN claimed
CN-119114040-A Preparation method and application of bionic phospholipid membrane monolithic column for screening and separating antimicrobial peptides 佛山大学 2024-12-13 CN claimed
EP-0130126-B1 (S)-9-(2,3-DIHYDROXY-1-PROPOXYMETHYL) GUANINE AND ITS ACYL DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTIHERPETIC AGENTS MERCK & CO. INC. (US) 1987-08-26 EP claimed
EP-0130126-A1 (S)-9-(2,3-dihydroxy-1-propoxymethyl) guanine and its acyl derivatives, their preparation and their application as antiherpetic agents MERCK & CO. INC. (US) 1985-01-02 EP claimed
JP-7149786-A None JP disclosed
CN-119114040-B Preparation method and application of bionic phospholipid membrane monolithic column for screening and separating antimicrobial peptides 佛山大学 2025-02-14 CN disclosed
CN-119114040-A Preparation method and application of bionic phospholipid membrane monolithic column for screening and separating antimicrobial peptides 佛山大学 2024-12-13 CN disclosed
CN-111448204-B Vaccine against klebsiella pneumoniae 爱杜西亚药品有限公司 2024-05-14 CN disclosed
US-11891413-B2 Vaccine against Klebsiella pneumoniae IDORSIA PHARMACEUTICALS LTD (CH) 2024-02-06 US disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
CN-113024559-B Preparation method of isoganciclovir 上药康丽(常州)药业有限公司 2022-03-29 CN disclosed
US-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-16 US disclosed
EP-0327791-A1 Gametocides Monsanto Company (US) 1989-08-16 EP disclosed
US-4847376-A COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 US disclosed
US-4801710-A Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO., INC. (US) 1989-01-31 US disclosed
US-4735649-A HYDROXYALKYL ESTERS OF N-PHOSPHONOMETHYLCLYCINE MONSANTO COMPANY (US) 1988-04-05 US disclosed
EP-0130126-B1 (S)-9-(2,3-DIHYDROXY-1-PROPOXYMETHYL) GUANINE AND ITS ACYL DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTIHERPETIC AGENTS MERCK & CO. INC. (US) 1987-08-26 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed
EP-0184473-A1 Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO. INC. (US) 1986-06-11 EP disclosed
EP-0130126-A1 (S)-9-(2,3-dihydroxy-1-propoxymethyl) guanine and its acyl derivatives, their preparation and their application as antiherpetic agents MERCK & CO. INC. (US) 1985-01-02 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-11891413-B2 Vaccine against Klebsiella pneumoniae UBXN1, MLX, UBXN4 CA1 2985/4885CA2 4423/4885CA7 2849/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 CA1 4140/4885CA2 1930/4885CA7 1096/4885
US-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE UBXN1, MLX, UBXN4 CA1 2985/4885CA2 4423/4885CA7 2849/4885

“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.