SCHEMBL810371

SCHEMBL810371

[CH2]CCCCCCCCCCC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HAO1 Q9UJM8 1/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL7839423 1.00 TDP1 (0.43) TDP1KMT2AMAPTHAO1CES2
SCHEMBL7839683 1.00 TDP1 (0.43) TDP1KMT2AMAPTHAO1CES2
SCHEMBL128010 1.00 TDP1 (0.43) TDP1KMT2AMAPTHAO1CES2
SCHEMBL7840044 1.00 TDP1 (0.43) TDP1KMT2AMAPTHAO1CES2
SCHEMBL128613 0.97
SCHEMBL133771 0.90
SCHEMBL13232045 0.87 TDP1 (0.56) TDP1KMT2AMAPTHAO1CES2
SCHEMBL17776278 0.87 TDP1 (0.56) TDP1KMT2AMAPTHAO1CES2
SCHEMBL1707003 0.87 TDP1 (0.56) TDP1KMT2AMAPTHAO1CES2
SCHEMBL11000950 0.87 TDP1 (0.56) TDP1KMT2AMAPTHAO1CES2

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
EP-2083806-B1 USE OF AN ANTI-CANCER COMPOUND UNIV PUTRA MALAYSIA (MY) 2012-01-11 EP disclosed
US-20090239953-A1 USE OF AN ANTI-CANCER COMPOUND Al-Zubairi, Adel Sharaf (MY) 2009-09-24 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-20090239953-A1 USE OF AN ANTI-CANCER COMPOUND MKI67, CCNI, CCNO TDP1 4143/4885KMT2A 2732/4885MAPT 4814/4885

“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.