SCHEMBL29588562

SCHEMBL29588562

O=Cc1cccc(OC2CCOC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
MAOA P21397 7/20 0.40
MAOB P27338 7/20 0.40
HRH3 Q9Y5N1 2/20 0.39
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
GRM5 P41594 2/20 0.37
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DUT P33316 1/20 0.37

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
SCHEMBL29664363 1.00 SRC (0.42) SRCMAOAMAOBHRH3NTRK1
SCHEMBL28371609 1.00 SRC (0.42) SRCMAOAMAOBHRH3NTRK1
SCHEMBL26345121 1.00 SRC (0.42) SRCMAOAMAOBHRH3NTRK1
SCHEMBL28376632 1.00 SRC (0.42) SRCMAOAMAOBHRH3NTRK1
SCHEMBL29664399 1.00 SRC (0.42) SRCMAOAMAOBHRH3NTRK1
SCHEMBL28375410 0.91 SRC (0.44) SRCMAOAMAOBHRH3NPC1
SCHEMBL18114419 0.88 SRC (0.46) SRCMAOAMAOBHDAC4MEF2D
SCHEMBL29664426 0.86 HRH3 (0.35) HRH3NTRK1NTRK3NTRK2ACACB
SCHEMBL29956659 0.82 SRC (0.50) SRCMAOAMAOBHDAC4MEF2D
SCHEMBL2692882 0.82 SRC (0.50) SRCMAOAMAOBHDAC4MEF2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638680-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119638682-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119638681-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-116323598-B Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-11-15 CN disclosed
US-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-01-11 US disclosed
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 EP disclosed
CN-116323598-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-06-23 CN disclosed
WO-2022105852-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-05-27 WO 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 (1 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-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE MYLK2, TNNT2, TNNC1 SRC 3446/4885MAOA 1319/4885MAOB 1179/4885

“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.