SCHEMBL29644376

SCHEMBL29644376

COc1ccc(-c2ccccc2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MAPT P10636 4/20 0.54
HPGD P15428 4/20 0.54
GAA P10253 1/20 0.54
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 3/20 0.49
FFAR1 O14842 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR2C P28335 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 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
SCHEMBL8264357 1.00 KDM4E (0.54) KDM4EMAPTHPGDGAAPDGFRB
SCHEMBL12326161 0.89 PDGFRB (0.58) KDM4EMAPTPDGFRBPDGFRAALDH1A1
SCHEMBL8338270 0.85 ACHE (0.52) KDM4EMAPTHPGDGAAPDGFRB
SCHEMBL1912033 0.83 DYRK1A (0.52) KDM4EMAPTHPGDPDGFRBPDGFRA
SCHEMBL15342387 0.83 DYRK1A (0.52) KDM4EMAPTHPGDPDGFRBPDGFRA
SCHEMBL4635995 0.83 KDM4E (0.50) KDM4EMAPTHPGDGAAALDH1A1
SCHEMBL4533772 0.83 L3MBTL1 (0.62) KDM4EMAPTHPGDALDH1A1L3MBTL1
SCHEMBL15342384 0.83 PDGFRB (0.57) KDM4EMAPTHPGDPDGFRBPDGFRA
SCHEMBL8401018 0.83 PDGFRB (0.53) KDM4EMAPTGAAPDGFRBPDGFRA
SCHEMBL8418986 0.82 RAB9A (0.48) KDM4EMAPTHPGDGAAPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253623-B Direct cross-coupling method of aryl fluorine sulfate and aryl bromine 南京工业大学 2024-04-05 CN disclosed
CN-114591128-B Direct cross-coupling method of aryl sulfide salt and aryl bromide 南京工业大学 2023-08-22 CN disclosed
CN-114805674-B Polymeric phosphine ligands, transition metal complexes comprising same, preparation and use thereof 中国科学院上海有机化学研究所 2023-08-11 CN disclosed
CN-116253623-A Direct cross-coupling method of aryl fluorine sulfate and aryl bromine 南京工业大学 2023-06-13 CN disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-114805674-A Polymeric phosphine ligands, transition metal complexes comprising same, preparation and use thereof 中国科学院上海有机化学研究所 2022-07-29 CN disclosed
CN-114591128-A Direct cross-coupling method of aryl sulfur salt and aryl bromide 南京工业大学 2022-06-07 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 (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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 KDM4E 916/4885MAPT 845/4885HPGD 980/4885

“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.