SCHEMBL4525005

SCHEMBL4525005

CCOC(=O)CCC(C)CN1CCC(Cc2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 2/20 0.42
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4525007 0.84 KDM4E (0.46) KDM4EALDH1A1TDP1TSHRL3MBTL1
SCHEMBL4515486 0.77 KDM4E (0.44) KDM4EALDH1A1TDP1TSHRL3MBTL1
SCHEMBL4525011 0.76 ALDH1A1 (0.43) KDM4EALDH1A1TDP1TSHRL3MBTL1
SCHEMBL13674506 0.73 KDM4E (0.44) KDM4EALDH1A1TDP1TSHRL3MBTL1
SCHEMBL4510846 0.71 L3MBTL1 (0.52) KDM4EALDH1A1TDP1TSHRL3MBTL1
SCHEMBL4505471 0.69 P2RX7 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4501886 0.69 TNKS (0.46) KDM4EALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL4509814 0.68 SIGMAR1 (0.44) ALDH1A1KMT2AMEN1ATM
SCHEMBL13674400 0.68 KDM4E (0.41) KDM4EALDH1A1TDP1TSHRL3MBTL1
SCHEMBL14177662 0.68 SMN1; SMN2 (0.42) SMN1; SMN2POLBKMT2AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 KDM4E 2703/4885ALDH1A1 51/4885TDP1 1899/4885

“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.