SCHEMBL4366901

SCHEMBL4366901

COCCOc1ccc(Cl)cc1C(=O)OC(C)OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.41
S1PR4 O95977 2/20 0.41
SGMS2 Q8NHU3 1/20 0.41
NLRP1 Q9C000 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
TSHR P16473 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
SCHEMBL8419951 0.85 BRPF1 (0.40) ALDH1A1HPGDMAPTKDM4ETSHR
SCHEMBL1505120 0.84 S1PR4 (0.52) ALDH1A1LMNAHPGDMAPTS1PR4
SCHEMBL4359950 0.82 TSHR (0.53) ALDH1A1LMNAHPGDMAPTS1PR4
SCHEMBL1505166 0.79 GAA (0.60) ALDH1A1LMNAMAPTS1PR4SGMS2
SCHEMBL11370707 0.79 LMNA (0.49) ALDH1A1LMNAHPGDMAPTS1PR4
SCHEMBL12505380 0.78 LMNA (0.48) ALDH1A1LMNAHPGDMAPTS1PR4
SCHEMBL1505088 0.76 GAA (0.56) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL19859009 0.72 ABL1 (0.54) ALDH1A1LMNAMAPTS1PR4KDM4E
SCHEMBL4360418 0.72 LMNA (0.51) ALDH1A1LMNAHPGDMAPTS1PR4
SCHEMBL6421995 0.72 SLC6A4 (0.51) ALDH1A1LMNAHPGDMAPTS1PR4

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 ALDH1A1 1286/4885LMNA 2509/4885HPGD 2432/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 ALDH1A1 827/4885LMNA 1865/4885HPGD 2426/4885

“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.