SCHEMBL6003068

SCHEMBL6003068

CCCOC(=O)/C=C(/I)C(=O)OCCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.47
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 4/20 0.38
HPGD P15428 1/20 0.38
APP P05067 1/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4254652 1.00 HCAR2 (0.47) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL4254660 1.00 HCAR2 (0.47) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL29116506 0.93 ATM (0.53) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL4252748 0.89 ATM (0.57) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL4252755 0.89 ATM (0.57) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL6003392 0.89 ATM (0.57) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL6003124 0.87 HCAR2 (0.51) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL4253587 0.87 HCAR2 (0.51) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL4253582 0.87 HCAR2 (0.51) HCAR2ATMNPSR1TSHRHPGD
SCHEMBL4251446 0.85 HCAR2 (0.53) HCAR2ATMNPSR1TSHRHPGD

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
WO-2023221562-A1 CATALYST SOLID COMPONENT FOR OLEFIN POLYMERIZATION, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国科学院化学研究所 2023-11-23 WO claimed
WO-2023221562-A1 CATALYST SOLID COMPONENT FOR OLEFIN POLYMERIZATION, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国科学院化学研究所 2023-11-23 WO disclosed
US-20060217565-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-28 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-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL HCAR2 354/4885ATM 1987/4885NPSR1 937/4885

“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.