SCHEMBL3776006

SCHEMBL3776006

COC(=O)COc1ccc(F)c2[nH]c(=O)c(Cc3ccc(Cl)cc3F)c(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CMA1 P23946 1/20 0.37
F2 P00734 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
HPD P32754 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 3/20 0.35
CYP2C19 P33261 2/20 0.34
TBXA2R P21731 1/20 0.34
PTGS1 P23219 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
SCHEMBL3773003 0.94 KDM4E (0.40) PTGDRPTGDR2ALDH1A1HPGDKDM4E
SCHEMBL3779020 0.91 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL3781883 0.89 ALDH1A1 (0.40) PTGDRPTGDR2ALDH1A1HPGDKDM4E
SCHEMBL3351461 0.87 ALDH1A1 (0.37) PTGDRPTGDR2ALDH1A1HPGDKDM4E
SCHEMBL3778049 0.85 TSHR (0.40) PTGDR2ALDH1A1CMA1GAALMNA
SCHEMBL3775253 0.83 PTGDR (0.38) PTGDRPTGDR2ALDH1A1HPGDKDM4E
SCHEMBL3778865 0.82 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL3779905 0.80 KDM4E (0.38) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL3348846 0.79 TSHR (0.36) PTGDR2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3778704 0.79 LMNA (0.38) PTGDRPTGDR2ALDH1A1HPGDKDM4E

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 PTGDR 82/4885PTGDR2 146/4885ALDH1A1 4201/4885

“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.