SCHEMBL4176133

SCHEMBL4176133

C=C([C]=O)c1cccc(C(=C)[C]=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FURIN P09958 1/20 0.32
PKM P14618 1/20 0.32
PARP1 P09874 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL146099 0.82 CES1 (0.43) TDP1L3MBTL1ATMHDAC8HDAC6
SCHEMBL2909086 0.78 MAPT (0.35) HSD17B10
SCHEMBL22121818 0.76 CES2 (0.55) TDP1HDAC8CA1CA2CES2
SCHEMBL9451857 0.72 ALDH1A1 (0.53) TDP1ATMHDAC6KMT2AGAA
SCHEMBL10452133 0.69 TSHR (0.58) CA12CA1CA2CA6CA9
SCHEMBL334045 0.68 NAPRT (0.46) L3MBTL1CA1CA9KMT2AMEN1
SCHEMBL9554891 0.68 CES2 (0.48) L3MBTL1ATMCA1CA2CES2
SCHEMBL535862 0.65 CES1 (0.48) TDP1L3MBTL1ATMHDAC8HDAC6
SCHEMBL20494918 0.65 TDP1 (0.40) TDP1L3MBTL1ATMHDAC8HDAC6
SCHEMBL167439 0.65 FURIN (0.43) TDP1L3MBTL1ATMHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118349-A1 BIS-ALKYLATING AGENTS AND THEIR USE IN CANCER THERAPY ONCO-PHARMAKON INCORPORATED (US) 2009-05-07 US claimed
US-20090118349-A1 BIS-ALKYLATING AGENTS AND THEIR USE IN CANCER THERAPY ONCO-PHARMAKON INCORPORATED (US) 2009-05-07 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-20090118349-A1 BIS-ALKYLATING AGENTS AND THEIR USE IN CANCER THERAPY UNG, MPG, DIMT1 TDP1 430/4885L3MBTL1 796/4885ATM 1211/4885

“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.