SCHEMBL5734528

SCHEMBL5734528

COC(=O)c1[nH]c2c(O)cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)c(CCCl)c2c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 2/20 0.33
P4HB P07237 1/20 0.32
HSP90AA1 P07900 1/20 0.32
SMO Q99835 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL5734217 0.91 ALDH1A1 (0.48) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL5732709 0.89 LMNA (0.40) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL6179116 0.84 LMNA (0.45) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL6180763 0.80 LMNA (0.40) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL5733054 0.80 LMNA (0.47) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL21943619 0.79 ALDH1A1 (0.46) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL24065590 0.76 HSP90AA1 (0.33) HSP90AA1
SCHEMBL14234930 0.76 LMNA (0.42) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL5735475 0.75 LMNA (0.49) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL21944101 0.74 HSP90B1 (0.31)

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
US-20210369705-A1 COMBINATION THERAPY UTILIZING DNA ALKYLATING AGENTS AND ATR INHIBITORS MERCK PATENT GMBH (DE) 2021-12-02 US disclosed
WO-2020078905-A1 COMBINATION THERAPY UTILIZING DNA ALKYLATING AGENTS AND ATR INHIBITORS MERCK PATENT GMBH (DE) 2020-04-23 WO disclosed
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 (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-20210369705-A1 COMBINATION THERAPY UTILIZING DNA ALKYLATING AGENTS AND ATR INHIBITORS ATR, TOP2A, TOP1 LMNA 3636/4885ALDH1A1 2520/4885HPGD 3161/4885
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 LMNA 1231/4885ALDH1A1 3356/4885HPGD 3628/4885

“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.