SCHEMBL5733458

SCHEMBL5733458

COc1ccc(/C=C/C(=O)O)c(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
ERN1 O75460 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39

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
SCHEMBL5733461 1.00 POLB (0.54) POLBTDP1KDM4EALDH1A1GAA
SCHEMBL6788484 0.89 POLB (0.50) POLBTDP1KDM4EALDH1A1GAA
SCHEMBL28774620 0.85 NNMT (0.50) POLBTDP1KDM4EALDH1A1GAA
SCHEMBL24055237 0.84 MAPT (0.57) POLBTDP1KDM4EALDH1A1MEN1
SCHEMBL3770469 0.80 KDM4E (0.41) KDM4EALDH1A1GAATHRBATM
SCHEMBL3770472 0.80 KDM4E (0.41) KDM4EALDH1A1GAATHRBATM
SCHEMBL590121 0.78 KDM4E (0.43) POLBTDP1KDM4EALDH1A1GAA
SCHEMBL590120 0.78 KDM4E (0.43) POLBTDP1KDM4EALDH1A1GAA
SCHEMBL26634026 0.76 KDM4E (0.54) POLBTDP1KDM4EALDH1A1GAA
SCHEMBL29952654 0.75 ERN1 (0.52) POLBTDP1KDM4EALDH1A1KMT2A

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 POLB 262/4885TDP1 552/4885KDM4E 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.