SCHEMBL1729932

SCHEMBL1729932

CCOC(=O)c1cc(Br)c(CBr)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40
KMT2A Q03164 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA7 P43166 2/20 0.39

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
SCHEMBL1728879 0.83 TSHR (0.49) TSHRHSD17B10CYP3A4KDM4ENPSR1
SCHEMBL6294947 0.82 TSHR (0.45) TSHRHSD17B10CYP3A4KDM4ENPSR1
SCHEMBL3997791 0.81 TSHR (0.58) TSHRHSD17B10CYP3A4KDM4ENPSR1
SCHEMBL21154838 0.81 CYP4F2 (0.44) TSHRCYP4F2CYP4A11KDM4ENPSR1
SCHEMBL3994958 0.81 CYP4F2 (0.48) TSHRHSD17B10CYP4F2CYP4A11CYP3A4
SCHEMBL16530136 0.81 ALDH1A1 (0.47) TSHRHSD17B10CYP4F2CYP4A11CYP3A4
SCHEMBL31171420 0.81 TSHR (0.60) TSHRHSD17B10CYP3A4KDM4ECA1
SCHEMBL31171418 0.81 TSHR (0.60) TSHRHSD17B10CYP3A4KDM4ECA1
SCHEMBL16962644 0.78 TSHR (0.50) TSHRHSD17B10CYP3A4KDM4ENPSR1
SCHEMBL34463695 0.78 TSHR (0.50) TSHRHSD17B10CYP4F2CYP4A11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 TSHR 909/4885HSD17B10 1858/4885CYP4F2 3556/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 TSHR 911/4885HSD17B10 1874/4885CYP4F2 3550/4885

“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.