SCHEMBL1607902

SCHEMBL1607902

Nc1cc2ccc(O)cc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.64
MIF P14174 11/20 0.61
KDM4E B2RXH2 4/20 0.61
MEN1 O00255 4/20 0.61
GLA P06280 4/20 0.61
GAA P10253 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
S1PR4 O95977 2/20 0.61
MAPT P10636 2/20 0.61
S1PR1 P21453 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ESR2 Q92731 1/20 0.60
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA9 Q16790 2/20 0.58
PTGS1 P23219 1/20 0.58
FLT3 P36888 1/20 0.58

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
SCHEMBL5296804 0.81 HSD17B3 (0.68) HSD17B3MIFKDM4EMEN1GLA
SCHEMBL16085333 0.81 SMN1; SMN2 (0.63) HSD17B3MIFKDM4EMEN1GLA
SCHEMBL31672162 0.78 POLB (0.59) HSD17B3MIFKDM4EMEN1GLA
SCHEMBL10789981 0.78 HSD17B3 (0.64) HSD17B3MIFKDM4EMEN1GLA
SCHEMBL10794401 0.78 HSD17B3 (0.64) HSD17B3MIFKDM4EMEN1GLA
SCHEMBL126040 0.78 HSD17B3 (1.00) HSD17B3MIFKDM4EMEN1GLA
SCHEMBL10791318 0.78 MIF (0.65) HSD17B3MIFKDM4EMEN1GLA
SCHEMBL8755758 0.78 POLB (0.59) HSD17B3MIFALDH1A1POLBSMN1; SMN2
SCHEMBL18141852 0.77 POLB (0.59) HSD17B3MIFKDM4EMEN1GLA
SCHEMBL893210 0.77 MEN1 (0.74) HSD17B3MIFKDM4EMEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777926-A Photo-induced moisture-curable polyurethane hot melt adhesive easy to repair and preparation method thereof 烟台德邦科技股份有限公司 2024-03-29 CN claimed
CN-112574280-B Double-enzyme system probe and application thereof 北京大学第一医院 2022-05-17 CN claimed
CN-112574280-A Double-enzyme system probe and application thereof 北京大学第一医院 2021-03-30 CN claimed
CN-105693674-B A kind of preparation and application of cumarin luminophor 安徽工业大学 2018-01-09 CN claimed
CN-102519949-A Naked eye visual colorimetric method-based probe for detecting nickel ions and preparation method and applications thereof UNIV JIANGNAN 2012-06-27 CN claimed
CN-119823085-A 3-Warfarin compounds and application thereof 济南尚诚医药科技有限公司 2025-04-15 CN disclosed
CN-117777926-A Photo-induced moisture-curable polyurethane hot melt adhesive easy to repair and preparation method thereof 烟台德邦科技股份有限公司 2024-03-29 CN disclosed
CN-117777926-A Photo-induced moisture-curable polyurethane hot melt adhesive easy to repair and preparation method thereof 烟台德邦科技股份有限公司 2024-03-29 CN disclosed
CN-115161014-B Preparation method and application of doped room temperature phosphorescent waterborne polymer anti-counterfeiting material 昆明理工大学 2023-04-07 CN disclosed
CN-115161014-A Preparation method and application of doped room temperature phosphorescent waterborne polymer anti-counterfeiting material 昆明理工大学 2022-10-11 CN disclosed
CN-112574280-B Double-enzyme system probe and application thereof 北京大学第一医院 2022-05-17 CN disclosed
CN-112574280-A Double-enzyme system probe and application thereof 北京大学第一医院 2021-03-30 CN disclosed
US-7411076-B2 such as 2-chloro-N-(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)benzamide, used for intensifying the effects of cancer therapy based on DNA injury; protein kinase inhibitors; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-08-12 US disclosed
US-7411076-B2 such as 2-chloro-N-(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)benzamide, used for intensifying the effects of cancer therapy based on DNA injury; protein kinase inhibitors; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-08-12 US disclosed
US-7411076-B2 such as 2-chloro-N-(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)benzamide, used for intensifying the effects of cancer therapy based on DNA injury; protein kinase inhibitors; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-08-12 US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US disclosed
EP-1807440-A2 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS The University of Kansas (US) 2007-07-18 EP disclosed
US-20060199776-A1 Novobiocin analogues as anticancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-07 US disclosed
WO-2006050501-A2 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIVERSITY OF KANSAS (US) 2006-05-11 WO disclosed
US-20050054717-A1 Coumarin derivative INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2005-03-10 US 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-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN HSD17B3 2831/4885MIF 4585/4885KDM4E 4719/4885
US-20060199776-A1 Novobiocin analogues as anticancer agents HSP90B1, HSP90AB2P, HSP90AB1 HSD17B3 3583/4885MIF 2931/4885KDM4E 4084/4885
US-20050054717-A1 Coumarin derivative ERCC2, ERCC4, DDB1 HSD17B3 1531/4885MIF 1111/4885KDM4E 3979/4885

“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.