SCHEMBL4360418

SCHEMBL4360418

CCCOc1ccc(Cl)cc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 2/20 0.50
ABL1 P00519 1/20 0.50
S1PR4 O95977 1/20 0.49
NLRP3 Q96P20 1/20 0.48
PNLIP P16233 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.47
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL1154092 0.93 KDM4E (0.54) LMNAALDH1A1HPGDMAPTABL1
SCHEMBL929622 0.88 MAPT (0.50) LMNAALDH1A1HPGDMAPTABL1
SCHEMBL1505120 0.88 S1PR4 (0.52) LMNAALDH1A1HPGDMAPTABL1
SCHEMBL6421995 0.88 SLC6A4 (0.51) LMNAALDH1A1HPGDMAPTABL1
SCHEMBL17040919 0.88 SMN1; SMN2 (0.58) LMNAALDH1A1HPGDMAPTABL1
SCHEMBL2796366 0.87 MAPT (0.52) LMNAALDH1A1HPGDMAPTABL1
Hydrochloric Acid SCHEMBL1505031 0.85 ABL1 (0.51) LMNAALDH1A1HPGDMAPTABL1
SCHEMBL2799514 0.85 MAPT (0.55) LMNAALDH1A1HPGDMAPTABL1
SCHEMBL11570896 0.85 SMN1; SMN2 (0.50) LMNAALDH1A1HPGDMAPTABL1
SCHEMBL20522075 0.84 GAA (0.61) LMNAALDH1A1MAPTPKML3MBTL1

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