SCHEMBL3786950

SCHEMBL3786950

COC(=O)COc1ccc(F)c2nc(OC(F)F)c(Cc3ccc(F)cc3F)c(C)c12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGER1 P34995 3/20 0.33
PPARD Q03181 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 1/20 0.33
TLR7 Q9NYK1 3/20 0.33
PTGER2 P43116 1/20 0.33
NTRK1 P04629 1/20 0.32
LMNA P02545 1/20 0.32
P2RX7 Q99572 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3772456 0.92 ALDH1A1 (0.40) ALDH1A1MAPTPTGDR2SMN1; SMN2PTGER1
SCHEMBL3777688 0.92 PTGDR2 (0.39) ALDH1A1MAPTPTGDR2PTGER1KDM4E
SCHEMBL3788161 0.91 PTGDR2 (0.43) PTGDR2SMN1; SMN2PPARDPTGER2
SCHEMBL3785616 0.88 PTGDR2 (0.45) ALDH1A1MAPTPTGDR2SMN1; SMN2KDM4E
SCHEMBL3777797 0.88 MAPT (0.38) ALDH1A1MAPTPTGDR2SMN1; SMN2KDM4E
SCHEMBL3783447 0.84 PTGDR2 (0.43) PTGDR2
SCHEMBL3777981 0.84 TSHR (0.37) ALDH1A1PTGDR2SMN1; SMN2LMNA
SCHEMBL3778028 0.83 PTGDR2 (0.41) ALDH1A1PTGDR2SMN1; SMN2PTGER1PPARD
SCHEMBL3783358 0.83 PTGDR2 (0.42) ALDH1A1MAPTPTGDR2PTGER1POLB
SCHEMBL3774323 0.83 PTGDR2 (0.53) ALDH1A1MAPTPTGDR2SMN1; SMN2PTGER1

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 ALDH1A1 4201/4885MAPT 4787/4885PTGDR2 146/4885

“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.