SCHEMBL6818883

SCHEMBL6818883

CCOC(=O)CC(C)(O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TARBP2 Q15633 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL11507389 0.89 KMT2A (0.41) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL6821927 0.87 POLB (0.47) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL11544325 0.86 THRB (0.41) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL11764920 0.85 KMT2A (0.43) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL6822589 0.85 TSHR (0.46) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL31294747 0.83 HSD11B1 (0.41) KMT2AMAPTMEN1LMNAHTT
SCHEMBL11494029 0.81 KMT2A (0.47) KMT2ALMNAALDH1A1HPGDHSD11B1
SCHEMBL11545326 0.81 SLC6A2 (0.41) KMT2AMAPTLMNANPSR1MAPK1
SCHEMBL1349277 0.80 TSHR (0.49) KMT2AMAPTMEN1LMNAHTT
SCHEMBL31294663 0.80 KMT2A (0.46) KMT2AMAPTMEN1LMNANPSR1

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-6737438-B2 EFFECTIVE IN MULTIDRUG RESISTANT MICE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-05-18 US disclosed
US-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof COUNCIL SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-03-18 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-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof DHPS, TBXAS1, ABCC1 KMT2A 2972/4885MAPT 3696/4885MEN1 4252/4885

“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.