SCHEMBL17138196

SCHEMBL17138196

CCCCCCCCCCCC(=O)Oc1cccc(OC(=O)CCCCCCCCCCC)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
POLM Q9NP87 1/20 0.52
POLK Q9UBT6 1/20 0.52
POLL Q9UGP5 1/20 0.52
POLH Q9Y253 1/20 0.52
CA2 P00918 2/20 0.50
HTR1A P08908 1/20 0.49
HTR1B P28222 1/20 0.49
EPHX2 P34913 2/20 0.49

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
SCHEMBL17138195 1.00 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL17138156 1.00 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9716543 1.00 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL10407331 0.98 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9716532 0.94 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL17138157 0.93 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL29000081 0.92 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL8846918 0.92 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL8430064 0.92 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL30125136 0.92 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1TDP1

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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 KMT2A 580/4885MEN1 4684/4885ALDH1A1 133/4885

“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.