SCHEMBL5736091

SCHEMBL5736091

CC(=O)OCCc1c(N)cc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.41
BRD4 O60885 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAP4K4 O95819 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 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
SCHEMBL5734192 0.82 CYP19A1 (0.45) RAD52ALDH1A1NPC1MAPK1RAB9A
SCHEMBL6177969 0.80 NPC1 (0.48) RAD52ALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL27563302 0.79 CASP3 (0.46) ALDH1A1MRGPRX4FFAR4L3MBTL1MAPK1
SCHEMBL28757819 0.74 ALDH1A1 (0.49) RAD52ALDH1A1BRD4FFAR4SMN1; SMN2
SCHEMBL1317900 0.72 FOLH1 (0.64) ALDH1A1MRGPRX4MTNR1AMTNR1BFFAR4
SCHEMBL27799810 0.72 HPGD (0.49) ALDH1A1MRGPRX4MTNR1AMTNR1BFFAR4
SCHEMBL27821150 0.72 FFAR4 (0.51) ALDH1A1BRD4MTNR1AMTNR1BFFAR4
SCHEMBL18347735 0.72 LTA4H (0.47) MRGPRX4SMN1; SMN2TDP1L3MBTL1NPC1
SCHEMBL11539399 0.71 BRD4 (0.66) ALDH1A1BRD4SMN1; SMN2TDP1L3MBTL1
SCHEMBL1317179 0.70 FFAR4 (0.49) ALDH1A1MTNR1AMTNR1BFFAR4TDP1

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 RAD52 50/4885ALDH1A1 3356/4885MRGPRX4 2901/4885

“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.