SCHEMBL459041

SCHEMBL459041

CC(N)C(=O)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
CA12 O43570 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53
CA6 P23280 1/20 0.53
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 2/20 0.52
EGLN2 Q96KS0 1/20 0.48
FASN P49327 1/20 0.46
ADRB1 P08588 1/20 0.46
MIF P14174 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
LMNA P02545 2/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
CLK1 P49759 2/20 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
Hydrochloric Acid SCHEMBL6751733 0.98 PARP1 (0.55) PARP1CA12CA2CA9CA1
SCHEMBL4190867 0.84 PARP1 (0.61) PARP1CA12CA2CA9CA1
SCHEMBL8084159 0.84 CA12 (0.57) PARP1CA12CA2CA9CA1
Hydrochloric Acid SCHEMBL2569130 0.82 CA12 (0.55) PARP1CA12CA2CA9CA1
SCHEMBL2989006 0.82 CA12 (0.55) PARP1CA12CA2CA9CA1
SCHEMBL9040297 0.81 PARP1 (0.60) PARP1MEN1KMT2A
SCHEMBL9041395 0.81 PBRM1 (0.53) CA12CA2CA9CA1KDM4E
SCHEMBL25170496 0.79 CA12 (0.52) PARP1CA12CA2CA9CA1
SCHEMBL3851904 0.79 SLC6A2 (0.59) PARP1KDM4EALDH1A1GAAMAPT
SCHEMBL9040971 0.79 PARP1 (0.58) PARP1ALDH1A1GAACYP3A4MEN1

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-3911660-B1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE LAURUS LABS LTD (IN) 2023-05-10 EP claimed
CN-115387113-A Far infrared deodorization fabric and preparation method thereof 郑喜才 2022-11-25 CN claimed
EP-1910269-B1 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LAB PVT LTD (IN) 2013-09-18 EP claimed
US-7608740-B2 Method of synthesizing key intermediates for the production of camptothecin derivatives Avra Laboratories Pvt. Ltd (IN) 2009-10-27 US claimed
US-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives AVRA LABORATORIES PVT. LTD. (IN) 2008-09-11 US claimed
EP-1910269-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES Avra Laboratories PVT. Ltd. (IN) 2008-04-16 EP claimed
WO-2007015259-A2 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LABORATORIES PVT. LTD. (IN) 2007-02-08 WO claimed
CN-115387113-A Far infrared deodorization fabric and preparation method thereof 郑喜才 2022-11-25 CN disclosed
CN-115387113-A Far infrared deodorization fabric and preparation method thereof 郑喜才 2022-11-25 CN disclosed
EP-3911660-A1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE Laurus Labs Limited (IN) 2021-11-24 EP disclosed
WO-2020148641-A1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE LAURUS LABS LIMITED (IN) 2020-07-23 WO disclosed
EP-1378505-B1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS YAKULT HONSHA KK (JP) 2014-11-05 EP disclosed
EP-1910269-B1 METHOD OF SYNTHESIZING KEY INTERMEDIATES FOR THE PRODUCTION OF CAMPTOTHECIN DERIVATIVES AVRA LAB PVT LTD (IN) 2013-09-18 EP disclosed
US-20040048832-A1 Compounds useful in preparing camptothecin derivatives PHARMACIA CORPORATION 2004-03-11 US disclosed
EP-1378505-A1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS Kabushiki Kaisha Yakult Honsha (JP) 2004-01-07 EP disclosed
WO-2003089413-A1 PHARMACIA CORPORATION PHARMACIA CORPORATION (US) 2003-10-30 WO disclosed
CN-1031941-C Process for preparing fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-06-05 CN disclosed
EP-0471358-B1 Fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-05-08 EP disclosed
CN-1060095-A Fluoroethylcamptothederivatives derivatives KYORIN SEIYAKU KK (JP) 1992-04-08 CN disclosed
EP-0471358-A1 Fluoroethylcamptothecin derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-02-19 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 (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-20080221358-A1 Method of Synthesizing Key Intermediates for the Production of Camptothecin Derivatives DHPS, TOP2A, HCCS PARP1 308/4885CA12 3479/4885CA2 3987/4885
US-20040048832-A1 Compounds useful in preparing camptothecin derivatives TOP2A, TOP2B, TOP1 PARP1 69/4885CA12 4032/4885CA2 3231/4885

“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.