SCHEMBL3779461

SCHEMBL3779461

CCc1[nH]c2c(F)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.39
JAK2 O60674 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G2A P14555 2/20 0.33
CNR2 P34972 3/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX5 P09917 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
TRPC5 Q9UL62 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
SCHEMBL3779428 0.93 PTGDR2 (0.36) ALDH1A1MAPTKDM4EJAK2PTGDR2
SCHEMBL2573624 0.92 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EJAK2PTGDR2
SCHEMBL2575631 0.92 ERAP1 (0.35) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL534053 0.92 MAOB (0.34) ALDH1A1MAPTKDM4EJAK2PTGDR2
SCHEMBL3779431 0.90 PTGDR2 (0.37) ALDH1A1MAPTKDM4EPTGDR2HPGD
SCHEMBL3776184 0.90 TSHR (0.36) ALDH1A1MAPTKDM4EJAK2PTGDR2
SCHEMBL2570634 0.89 PDE2A (0.38) SMN1; SMN2KMT2A
SCHEMBL3778224 0.88 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EJAK2HPGD
SCHEMBL3778740 0.87 HPGD (0.37) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL2572641 0.86 PTGDR2 (0.52) KDM4EJAK2PTGDR2NPC1

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 4787/4885KDM4E 4638/4885

“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.