SCHEMBL4359950

SCHEMBL4359950

COCCOC(=O)c1cc(Cl)ccc1OCCOC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
S1PR4 O95977 2/20 0.45
SGMS2 Q8NHU3 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1505120 0.90 S1PR4 (0.52) HPGDALDH1A1LMNAMAPTKDM4E
SCHEMBL11370707 0.85 LMNA (0.49) TSHRHPGDALDH1A1LMNAMAPT
SCHEMBL1505166 0.85 GAA (0.60) TSHRALDH1A1LMNAMAPTKDM4E
SCHEMBL12505380 0.84 LMNA (0.48) TSHRHPGDALDH1A1LMNAMAPT
SCHEMBL4366901 0.82 ALDH1A1 (0.44) TSHRHPGDALDH1A1LMNAMAPT
SCHEMBL8419947 0.82 TSHR (0.53) TSHRHPGDALDH1A1MAPTKDM4E
SCHEMBL1505088 0.81 GAA (0.56) TSHRALDH1A1LMNAMAPTKDM4E
SCHEMBL15430834 0.80 TSHR (0.50) TSHRHPGDALDH1A1LMNAMAPT
SCHEMBL6941866 0.79 TSHR (0.53) TSHRHPGDALDH1A1KDM4EKMT2A
SCHEMBL7803468 0.79 TSHR (0.43) TSHRHPGDALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2003-08-14 US disclosed
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 WO 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-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 TSHR 769/4885HPGD 2432/4885ALDH1A1 1286/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 TSHR 1011/4885HPGD 2426/4885ALDH1A1 827/4885

“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.