SCHEMBL331561

SCHEMBL331561

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CS(=O)(=O)F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
ALDH1A1 P00352 2/20 0.53
UGT1A1 P22309 1/20 0.53
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
SQLE Q14534 5/20 0.52
TRPA1 O75762 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GGPS1 O95749 1/20 0.46

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
SCHEMBL331563 1.00 KMT2A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9017121 0.84 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10986149 0.84 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL16654337 0.82 KMT2A (0.60) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1685901 0.82 KMT2A (0.60) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1685900 0.82 KMT2A (0.60) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL794675 0.80 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL794674 0.80 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23802597 0.76 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL890053 0.76 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097722-B2 Inhibitors of polyisoprenylated methylated protein methyl esterase FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-01-17 US disclosed
US-7897604-B2 Inhibitors of polyisoprenylated methylated protein methyl esterase FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2011-03-01 US disclosed
US-20100087526-A1 INHIBITORS OF POLYISOPRENYLATED METHYLATED PROTEIN METHYL ESTERASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-08 US disclosed
US-20090253640-A1 INHIBITORS OF POLYISOPRENYLATED METHYLATED PROTEIN METHYL ESTERASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-08 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 (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-20100087526-A1 INHIBITORS OF POLYISOPRENYLATED METHYLATED PROTEIN METHYL ESTERASE RCE1, PPME1, EMG1 KMT2A 576/4885MAPT 4322/4885MEN1 1592/4885
US-20090253640-A1 INHIBITORS OF POLYISOPRENYLATED METHYLATED PROTEIN METHYL ESTERASE RCE1, PPME1, EMG1 KMT2A 607/4885MAPT 4377/4885MEN1 1519/4885

“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.