SCHEMBL5734217

SCHEMBL5734217

COc1cc2cc(C(=O)Nc3cc(O)c4[nH]c(C(=O)O)c(C(=O)O)c4c3CCCl)[nH]c2c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 3/20 0.35
MAPT P10636 1/20 0.35
P4HB P07237 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TP53 P04637 2/20 0.33
TPMT P51580 1/20 0.33
SMO Q99835 1/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PLA2G7 Q13093 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
UBE2I P63279 1/20 0.31
SAE1 Q9UBE0 1/20 0.31

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
SCHEMBL5734528 0.91 LMNA (0.43) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL6179116 0.89 LMNA (0.45) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL5732709 0.84 LMNA (0.40) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL6180763 0.80 LMNA (0.40) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL5733054 0.80 LMNA (0.47) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL21943619 0.80 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL14234930 0.76 LMNA (0.42) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL5735475 0.75 LMNA (0.49) ALDH1A1LMNAKDM4EHPGDPOLB
Centanamycin SCHEMBL5733476 0.74 LMNA (0.46) ALDH1A1LMNAKDM4EHPGDPOLB
Centanamycin SCHEMBL29441389 0.74 LMNA (0.46) ALDH1A1LMNAKDM4EHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP claimed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US claimed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 US claimed
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 US disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 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 (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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 ALDH1A1 3356/4885LMNA 1231/4885KDM4E 1215/4885

“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.