SCHEMBL23364330

SCHEMBL23364330

COC(=O)c1cc(OC)c(OC)cc1I

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.61
▸ POLB P06746 3/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ HSD17B10 Q99714 7/20 0.51
▸ GAA P10253 7/20 0.51
▸ HTT P42858 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HPGD P15428 4/20 0.50
▸ LCK P06239 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ GLA P06280 1/20 0.45

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
SCHEMBL25259828 0.89 KDM4E (0.50) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL31460065 0.87 SOS1 (0.48) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL7378524 0.85 KDM4E (0.73) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL14666358 0.85 CFTR (0.53) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL238197 0.82 LCK (0.66) KDM4EALDH1A1HSD17B10HTTKMT2A
SCHEMBL12082046 0.81 SMPD1 (0.53) KDM4EALDH1A1HSD17B10KMT2AMAPK1
SCHEMBL7466908 0.81 KDM4E (0.68) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL6582728 0.81 KDM4E (0.67) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL12497066 0.80 LCK (0.69) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL29945757 0.80 LCK (0.69) KDM4EPOLBALDH1A1HSD17B10GAA

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
CN-117865925-A 3, 4-benzocoumarin compound based on complex functional aromatic hydrocarbon and preparation method and application thereof 上海瑞苷生物科技有限公司 2024-04-12 — — CN disclosed
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 — — US disclosed
WO-2021097075-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-05-20 — — 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-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS KDM4E 1888/4885POLB 532/4885ALDH1A1 3200/4885

“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.

Send feedback