SCHEMBL459040

SCHEMBL459040

CCC(=O)c1cc(O)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.61
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 1/20 0.42
PTGS1 P23219 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 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
SCHEMBL30267852 1.00 HSP90AB1 (0.61) HSP90AB1ESR1ESR2CA12CA1
SCHEMBL7139595 0.85 HSD17B3 (0.52) HSP90AB1CA12CA1CA2CA7
SCHEMBL6357102 0.85 HSP90AB1 (0.67) HSP90AB1ESR1ESR2CA12CA1
SCHEMBL9041388 0.82 MAPT (0.57) HSP90AB1ESR2MEN1KMT2ACYP3A4
SCHEMBL7082841 0.81 HTT (0.67) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL28381250 0.81 ATM (0.46) HSP90AB1MEN1KMT2AALDH1A1HTT
SCHEMBL9040295 0.81 MAPT (0.51) HSP90AB1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4624113 0.81 ALDH1A1 (0.43) HSP90AB1ESR1ESR2CA12CA1
SCHEMBL7078451 0.80 FFAR1 (0.43) HSP90AB1CA12CA1CA2CA7
SCHEMBL6092512 0.80 NOS2 (0.61) MEN1KMT2ACYP3A4ALDH1A1HTT

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 99 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
CN-113817133-A Room-temperature self-crosslinking water-based nonionic polyurethane dispersion and preparation method and application thereof 湖南松井新材料股份有限公司 2021-12-21 CN claimed
EP-1378505-B1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS YAKULT HONSHA KK (JP) 2014-11-05 EP 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-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US claimed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US claimed
US-7910737-B2 preparation method of 7-ethyl-10-hydroxycamptothecin from 4-ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione and 1-(2-amino-5 -hydroxyphenyl)-propan-1-one using higher reaction temperature and faster heating to that temperature in the presence of catalyst FERMION OY (FI) 2011-03-22 US 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
EP-1846412-B1 PROCESS FOR THE MANUFACTURING OF 7-ETHYL-10-HYDROXY CAMPTOTHECIN FERMION OY (FI) 2009-10-21 EP 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
US-7378555-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-27 US claimed
US-20080103309-A1 Process for the Manufacturing of 7-Ethyl-10-Hydroxy Camptothecin FERMION OY (FI) 2008-05-01 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
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 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
US-20070010674-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2007-01-11 US claimed
US-7126000-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-10-24 US claimed
US-20040106830-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2004-06-03 US claimed
EP-1378505-A1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS Kabushiki Kaisha Yakult Honsha (JP) 2004-01-07 EP 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 (5 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 HSP90AB1 1603/4885ESR1 4250/4885ESR2 3610/4885
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY HSP90AB1 2430/4885ESR1 4510/4885ESR2 4455/4885
US-20080103309-A1 Process for the Manufacturing of 7-Ethyl-10-Hydroxy Camptothecin TOP1, TOP2A, DHPS HSP90AB1 534/4885ESR1 4097/4885ESR2 4339/4885
US-20070010674-A1 Method of synthesizing camptothecin-relating compounds PAICS, DHPS, TOP2A HSP90AB1 1368/4885ESR1 4616/4885ESR2 4419/4885
US-20040106830-A1 Method of synthesizing camptothecin-relating compounds PAICS, DHPS, TOP2A HSP90AB1 1669/4885ESR1 4685/4885ESR2 4465/4885

“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.