SCHEMBL6180847

SCHEMBL6180847

COc1cc2cc(C(=O)Nc3cc(NC(=O)OCc4ccccc4)c4ccccc4c3CCOC(C)=O)[nH]c2c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TACR3 P29371 1/20 0.39
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
PLA2G7 Q13093 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL6245786 0.92 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDTACR3
SCHEMBL6178008 0.92 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDTACR3
SCHEMBL5734699 0.89 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDALOX5
SCHEMBL5736235 0.85 ALDH1A1 (0.38) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL6179609 0.85 LMNA (0.43) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL6181192 0.83 KDM4E (0.52) KDM4EALDH1A1HPGDTACR3KMT2A
SCHEMBL5734174 0.80 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDTP53
SCHEMBL5734826 0.80 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDTP53
SCHEMBL6179251 0.79 P4HB (0.42) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL5732770 0.77 KDM4E (0.45) KDM4EALDH1A1LMNAHPGDKMT2A

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
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
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

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 KDM4E 1215/4885ALDH1A1 3356/4885LMNA 1231/4885

“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.