SCHEMBL1728964

SCHEMBL1728964

CCOc1cc(C(=O)CBr)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
ALOX5 P09917 2/20 0.42
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
F2R P25116 2/20 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
SCHEMBL9907147 0.86 TSHR (0.49) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL1730863 0.84 LMNA (0.46) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL1730641 0.83 NCOA1 (0.49) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL1189097 0.83 ALOX5 (0.55) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL6544967 0.78 THRA (0.35) LMNARECQLTSHRMAPK1KDM4E
SCHEMBL1730615 0.77 MEN1 (0.38) LMNATSHRMEN1KMT2AHTT
SCHEMBL12187574 0.77 ALOX5 (0.47) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL9631723 0.77 CYP1A2 (0.50) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL27532704 0.76 ALOX5 (0.46) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL7859993 0.73 TSHR (0.46) LMNATSHRMEN1KMT2AMAPK1

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 LMNA 3366/4885RECQL 1273/4885PTGS1 1630/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 LMNA 3368/4885RECQL 1278/4885PTGS1 1607/4885

“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.