SCHEMBL6776244

SCHEMBL6776244

COC(=O)c1cc(I)c(CO)cc1-c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6782252 0.88 LMNA (0.39) NR4A2SLC6A3SLC6A4SLC6A2KDM4E
SCHEMBL6780722 0.85 SLC6A3 (0.42) NR4A2SLC6A3SLC6A4SLC6A2CYP46A1
SCHEMBL6776274 0.81 MCL1 (0.43) NR4A2SLC6A3SLC6A4SLC6A2PDCD1
SCHEMBL6772426 0.78 FNTA (0.48) KDM4EALDH1A1TSHRHSD17B10KMT2A
SCHEMBL6624770 0.77 SLC6A3 (0.46) NR4A2SLC6A3SLC6A4SLC6A2PDCD1
SCHEMBL628811 0.76 SLC6A3 (0.46) NR4A2SLC6A3SLC6A4SLC6A2KDM4E
SCHEMBL7910206 0.76 FNTA (0.43) SLC6A3SLC6A4
SCHEMBL410454 0.74 EGFR (0.46) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL6775709 0.73 ALDH1A1 (0.51) NR4A2SLC6A3SLC6A4SLC6A2KDM4E
SCHEMBL9549 0.73 SLC6A3 (0.57) NR4A2SLC6A3SLC6A4SLC6A2KDM4E

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-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 NR4A2 2020/4885SLC6A3 2958/4885SLC6A4 3320/4885

“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.