SCHEMBL20745002

SCHEMBL20745002

CCOC(=O)C(C)(Cc1ccccc1)/C(C)=N/OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.59
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
PIN1 Q13526 1/20 0.39
TAAR1 Q96RJ0 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
PAM P19021 1/20 0.36
PPID Q08752 1/20 0.36
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL20745005 1.00 MMP8 (0.59) MMP8ALDH1A1RECQLPIN1TAAR1
SCHEMBL25046046 0.88 MMP8 (0.49) MMP8ALDH1A1RECQLHPGDMAPT
SCHEMBL8710582 0.81 MMP8 (0.79) MMP8ALDH1A1RECQLPIN1TAAR1
SCHEMBL20744888 0.80 HPGD (0.42) MMP8ALDH1A1RECQLTAAR1HPGD
SCHEMBL20744890 0.80 HPGD (0.42) MMP8ALDH1A1RECQLTAAR1HPGD
SCHEMBL9526598 0.80 MMP8 (0.73) MMP8ALDH1A1RECQLPIN1TAAR1
SCHEMBL20744889 0.79 HPGD (0.39) MMP8ALDH1A1RECQLTAAR1HPGD
SCHEMBL20744891 0.79 HPGD (0.39) MMP8ALDH1A1RECQLTAAR1HPGD
SCHEMBL28399342 0.78 TRPA1 (0.38) MMP8ALDH1A1RECQLHPGDPAM
SCHEMBL20745009 0.75 PKM (0.34) MMP8ALDH1A1RECQLPIN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10875822-B2 Directed β-C(sp3)#H iodination and arylation of ketones THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-29 US disclosed
US-10875822-B2 Directed β-C(sp3)#H iodination and arylation of ketones THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-29 US disclosed
US-20200255363-A1 Directed Beta-C(sp3)–H Iodination and Arylation of Ketones THE SCRIPPS RESEARCH INSTITUTE 2020-08-13 US disclosed
US-20200255363-A1 Directed Beta-C(sp3)–H Iodination and Arylation of Ketones THE SCRIPPS RESEARCH INSTITUTE 2020-08-13 US disclosed
WO-2019036349-A1 DIRECTED B-C(SP3)-H IODINATION AND ARYLATION OF KETONES THE SCRIPPS RESEARCH INSTITUTE (US) 2019-02-21 WO disclosed
WO-2019036349-A1 DIRECTED B-C(SP3)-H IODINATION AND ARYLATION OF KETONES THE SCRIPPS RESEARCH INSTITUTE (US) 2019-02-21 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 (2 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-20200255363-A1 Directed Beta-C(sp3)–H Iodination and Arylation of Ketones BCAT1, AOC3, SPIN3 MMP8 3894/4885ALDH1A1 1244/4885RECQL 4875/4885
US-10875822-B2 Directed β-C(sp3)#H iodination and arylation of ketones BCAT1, AOC3, SPIN3 MMP8 3775/4885ALDH1A1 1290/4885RECQL 4875/4885

“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.