SCHEMBL5759730

SCHEMBL5759730

COc1cc2cc(C(=O)Nc3cc(OCc4ccccc4)ccc3CCCl)[nH]c2c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
BCHE P06276 1/20 0.42
SRD5A2 P31213 2/20 0.41
SRD5A1 P18405 1/20 0.41
FLT3 P36888 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1B P49286 1/20 0.40
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL5735475 0.85 LMNA (0.49) KDM4EALDH1A1HPGDLMNAFLT3
SCHEMBL5734826 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL5789593 0.82 LMNA (0.48) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL6178008 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDLMNASRD5A2
SCHEMBL5734174 0.77 KDM4E (0.44) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL5733051 0.76 LMNA (0.41) KDM4EALDH1A1HPGDLMNASRD5A2
SCHEMBL5732770 0.76 KDM4E (0.45) KDM4EALDH1A1HPGDLMNACYP1A2
Centanamycin SCHEMBL5733476 0.75 LMNA (0.46) KDM4EALDH1A1HPGDLMNATP53
Centanamycin SCHEMBL29441389 0.75 LMNA (0.46) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL5734699 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1215/4885ALDH1A1 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.