SCHEMBL2806722

SCHEMBL2806722

CCN(CC)CC.Cc1c(C(=O)O)cc(N)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.61
KDM4E B2RXH2 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
GLA P06280 1/20 0.46
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 3/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL2806720 1.00 TDP1 (0.61) TDP1KDM4EMEN1KMT2AGLA
SCHEMBL2806484 0.86 KDM4E (0.79) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2808086 0.84 KDM4E (0.76) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2810699 0.80 ALDH1A1 (0.52) TDP1KDM4EMEN1KMT2AGLA
SCHEMBL2810702 0.80 ALDH1A1 (0.52) TDP1KDM4EMEN1KMT2AGLA
Pyromellitic Acid SCHEMBL20212670 0.78 GLA (0.52) TDP1KDM4EMEN1KMT2AGLA
Mesalamine SCHEMBL27932723 0.77 ALDH1A1 (0.73) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2811526 0.77 TPMT (0.45) TDP1KDM4EMEN1KMT2AGLA
SCHEMBL2811524 0.77 TPMT (0.45) TDP1KDM4EMEN1KMT2AGLA
SCHEMBL2806852 0.77 TPMT (0.45) TDP1KDM4EMEN1KMT2AGLA

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TDP1 4533/4885KDM4E 3178/4885MEN1 579/4885

“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.