SCHEMBL3778079

SCHEMBL3778079

CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(Cl)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.52
EIF4EBP1 Q13541 1/20 0.36
PTGDR Q13258 1/20 0.36
GRM4 Q14833 1/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 3/20 0.35
TBXA2R P21731 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGER1 P34995 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
PLA2G1B P04054 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL3781705 0.95 PTGDR2 (0.48) PTGDR2PTGDRGRM4CYP1A2CYP2C9
SCHEMBL3777093 0.94 PTGDR2 (0.52) PTGDR2EIF4EBP1PTGDRKMT2AALDH1A1
SCHEMBL3774323 0.92 PTGDR2 (0.53) PTGDR2PTGER1KMT2AALDH1A1MEN1
SCHEMBL3778577 0.92 PTGDR2 (0.62) PTGDR2EIF4EBP1CYP1A2CYP2C9CYP2C19
SCHEMBL3776143 0.90 PTGDR2 (0.51) PTGDR2EIF4EBP1PTGDRCYP1A2CYP2C9
SCHEMBL3782624 0.89 PTGDR2 (0.63) PTGDR2PTGDRKMT2AALDH1A1TSHR
SCHEMBL3775974 0.87 PTGDR2 (0.48) PTGDR2KMT2AALDH1A1TSHRKDM4E
SCHEMBL3777386 0.87 PTGDR2 (0.56) PTGDR2CYP1A2CYP2C9CYP2C19TBXA2R
SCHEMBL3772564 0.86 PTGDR2 (0.61) PTGDR2EIF4EBP1PTGDRKMT2ATSHR
SCHEMBL3772517 0.84 PTGDR2 (0.66) PTGDR2CYP1A2CYP2C9CYP2C19KMT2A

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 PTGDR2 146/4885EIF4EBP1 3806/4885PTGDR 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.