SCHEMBL12752189

SCHEMBL12752189

CC(=O)OCCn1c(C(=O)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
IDO1 P14902 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA2B P29275 1/20 0.31
PKM P14618 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
SCHEMBL1484712 0.91 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL12752192 0.90 KMT2A (0.42) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL12752205 0.89 KMT2A (0.48) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL12752183 0.86 KMT2A (0.47) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL12752190 0.85 KMT2A (0.39) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL12752179 0.84 KMT2A (0.41) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL12752242 0.83 KMT2A (0.37) KMT2AMEN1TDP1MAPTHTT
SCHEMBL7757679 0.83 TK1 (0.37) KMT2AMEN1TDP1
SCHEMBL7757684 0.83 TK1 (0.37) KMT2AMEN1TDP1
SCHEMBL12752193 0.83 KMT2A (0.38) ALDH1A1KMT2AMEN1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 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 (2 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H ALDH1A1 1800/4885KMT2A 1544/4885MEN1 4798/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H ALDH1A1 1800/4885KMT2A 1544/4885MEN1 4798/4885

“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.