SCHEMBL23337130

SCHEMBL23337130

O=C1CC(=O)c2cc(I)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.46
▸ TGM2 P21980 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CASP3 P42574 1/20 0.38
▸ CCNB2 O95067 2/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ CCNB3 Q8WWL7 2/20 0.34
▸ APP P05067 2/20 0.34
▸ AR P10275 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ TYMS P04818 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ ERN1 O75460 1/20 0.30

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
SCHEMBL8501316 0.79 TDP2 (0.58) TDP2TGM2CES1CASP3CCNB2
SCHEMBL26638890 0.79 TDP2 (0.58) TDP2TGM2CES1APPMAOA
SCHEMBL16750516 0.75 MEN1 (0.40) TDP2
SCHEMBL14453945 0.73 ALDH1A1 (0.33) CES1GSK3B
SCHEMBL1963896 0.72 S100A4 (0.50) TDP2TGM2CES1CASP3MAOA
SCHEMBL16267346 0.72 MAOA (0.50) TDP2TGM2CES1CASP3MAOA
SCHEMBL21224167 0.72 TGM2 (0.50) TDP2TGM2CES1CASP3MAOA
SCHEMBL1795929 0.72 TGM2 (0.50) TDP2TGM2CES1CASP3MAOA
SCHEMBL5823309 0.71 S100A4 (0.56) TDP2TGM2CES1CDK5LRRK2
SCHEMBL3254156 0.71 MAOB (0.52) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357162-A1 COMPOUNDS, COMPOSITIONS AND METHODS TENVIE THERAPEUTICS, INC. 2023-11-09 — — US disclosed
US-20220102650-A1 PHOTOELECTRIC CONVERSION ELEMENT, DEVICE, AND POWER SUPPLY MODULE RICOH COMPANY, LTD. (JP) 2022-03-31 — — US disclosed
US-20210135128-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2021-05-06 — — 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 (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-20230357162-A1 COMPOUNDS, COMPOSITIONS AND METHODS NLRP3, NLRP1, NOD1 TDP2 656/4885TGM2 4425/4885CES1 2728/4885

“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.

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