SCHEMBL19463560

SCHEMBL19463560

Cc1c(O)cc(O)c(C=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
MAPT P10636 2/20 0.53
USP2 O75604 1/20 0.46
PTGES O14684 1/20 0.42
PTPN1 P18031 1/20 0.42
ERN1 O75460 5/20 0.41
MAOB P27338 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.39
IGF1R P08069 2/20 0.36
SRC P12931 2/20 0.36
AXL P30530 2/20 0.36
PTK2 Q05397 2/20 0.36
AURKB Q96GD4 2/20 0.36
ALK Q9UM73 2/20 0.36
HDAC3 O15379 1/20 0.36
NUAK1 O60285 1/20 0.36

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
SCHEMBL30430976 1.00 CYP3A4 (0.53) CYP3A4MAPTUSP2PTGESPTPN1
Methane SCHEMBL28606274 0.98 CYP3A4 (0.52) CYP3A4MAPTUSP2PTGESPTPN1
SCHEMBL17311322 0.84 CYP3A4 (0.52) CYP3A4MAPTUSP2PTGESPTPN1
SCHEMBL10470456 0.84 CYP3A4 (0.46) CYP3A4MAPTUSP2PTGESPTPN1
SCHEMBL31336001 0.84 CYP3A4 (0.46) CYP3A4MAPTUSP2PTGESPTPN1
SCHEMBL10609480 0.83 CYP3A4 (0.52) CYP3A4MAPTUSP2PTGESPTPN1
SCHEMBL7896054 0.78 CYP3A4 (0.48) CYP3A4MAPTUSP2ERN1KDM4E
SCHEMBL31648926 0.78 CYP3A4 (0.48) CYP3A4MAPTUSP2ERN1KDM4E
SCHEMBL31156341 0.75 MAOB (0.43) CYP3A4MAPTUSP2PTGESPTPN1
SCHEMBL31156359 0.75 MAOB (0.43) CYP3A4MAPTUSP2PTGESPTPN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106340726-B Magnetic conductive nano metal/carbon aerogels absorbing material and preparation method thereof 中国工程物理研究院激光聚变研究中心 2019-01-25 CN claimed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-12-26 US disclosed
EP-4441031-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2024-10-09 EP disclosed
EP-4441040-A1 INDOLINES AS PROTAC COMPOUNDS Neophore Limited (GB) 2024-10-09 EP disclosed
CN-118317954-A Indoline as PROTAC compound 奈奥芬莱有限公司 2024-07-09 CN disclosed
CN-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 CN disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
WO-2023094833-A1 INDOLINES AS PROTAC COMPOUNDS Neophore Limited (GB) 2023-06-01 WO disclosed
WO-2023094833-A1 INDOLINES AS PROTAC COMPOUNDS Neophore Limited (GB) 2023-06-01 WO disclosed
WO-2023094834-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2023-06-01 WO disclosed
WO-2023094834-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2023-06-01 WO disclosed
CN-109293493-B Novel benzhydryl compounds with mycobacterium tuberculosis inhibiting activity 清华大学 2021-08-03 CN disclosed
CN-106340726-B Magnetic conductive nano metal/carbon aerogels absorbing material and preparation method thereof 中国工程物理研究院激光聚变研究中心 2019-01-25 CN disclosed
CN-105601604-B Dracorhodin and its salt, the preparation method of intermediate and these midbody compounds 北京颖诺凯胜科技有限公司 2018-03-09 CN disclosed
WO-2017178498-A1 CARBONACEOUS MATERIALS, THEIR MANUFACTURING PROCESS AND THEIR USE IN SUPERCAPACITORS XEROLUTIONS S.L. (ES) 2017-10-19 WO disclosed
CN-106340726-A Magnetic conductive nano-metal/carbon airgel absorbing material and the preparation method thereof 中国工程物理研究院激光聚变研究中心 2017-01-18 CN disclosed
CN-105601604-A Preparation methods of dracorhodin and salt and intermediates thereof and intermediate compounds INNOCHEM (BEIJING) TECH CO LTD 2016-05-25 CN 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-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 CYP3A4 2245/4885MAPT 4634/4885USP2 1022/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 CYP3A4 3288/4885MAPT 3491/4885USP2 1312/4885
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS PMS2, MSH2, RECQL CYP3A4 1109/4885MAPT 3789/4885USP2 498/4885

“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.