SCHEMBL3779598

SCHEMBL3779598

COC(=O)COc1ccc(Cl)c2[nH]c(C)c(Sc3ccc(Cl)cc3)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.40
LMNA P02545 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PTGS2 P35354 1/20 0.37
LPAR2 Q9HBW0 1/20 0.36
MAPT P10636 3/20 0.35
VDR P11473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3778014 0.82 LMNA (0.38) LMNAPTGDRPTGDR2PTGS2LPAR2
SCHEMBL3776832 0.76 VDR (0.41) LMNAPTGDRPTGDR2PTGS2MAPT
SCHEMBL3788309 0.74 MAPT (0.41) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3779072 0.74 LMNA (0.37) LMNAPTGDRPTGDR2PTGS2MAPT
SCHEMBL3778704 0.73 LMNA (0.38) LMNAPTGDRPTGDR2PTGS2LPAR2
SCHEMBL3783224 0.73 SLC2A1 (0.43) LMNAPTGDRPTGDR2PTGS2LPAR2
SCHEMBL3780994 0.73 TSHR (0.42) LMNAPTGDR2PTGS2SMN1; SMN2ALDH1A1
SCHEMBL3772920 0.71 TSHR (0.42) LMNAPTGDR2PTGS2SMN1; SMN2KDM4E
SCHEMBL3772949 0.71 VDR (0.37) LMNAPTGDRPTGDR2PTGS2LPAR2
SCHEMBL3780902 0.68 PTGDR (0.37) LMNAPTGDRPTGDR2MAPTKDM4E

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
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 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 (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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 TYMS 3750/4885LMNA 3732/4885PTGDR 82/4885

“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.