SCHEMBL3777688

SCHEMBL3777688

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
PTGDR Q13258 1/20 0.39
F2 P00734 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
TBXA2R P21731 2/20 0.35
PTGS1 P23219 2/20 0.35
CYP2C19 P33261 2/20 0.35
PTGER1 P34995 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 2/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 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
SCHEMBL3777797 0.94 MAPT (0.38) PTGDR2PTGDRF2CYP1A2CYP2C9
SCHEMBL3786950 0.92 ALDH1A1 (0.36) PTGDR2PTGER1PTGER2POLBALDH1A1
SCHEMBL3783358 0.91 PTGDR2 (0.42) PTGDR2PTGDRCYP1A2CYP2C9TBXA2R
SCHEMBL3772456 0.90 ALDH1A1 (0.40) PTGDR2PTGDRCYP1A2CYP2C9CYP2C19
SCHEMBL3783447 0.89 PTGDR2 (0.43) PTGDR2PTGDR
SCHEMBL3777981 0.86 TSHR (0.37) PTGDR2ALDH1A1TSHR
SCHEMBL3784139 0.85 TDP1 (0.44) PTGDR2PTGDRTSHRKMT2AMAPT
SCHEMBL3785616 0.84 PTGDR2 (0.45) PTGDR2CYP1A2CYP2C9CYP2C19POLB
SCHEMBL3788161 0.83 PTGDR2 (0.43) PTGDR2PTGER2
SCHEMBL3778079 0.83 PTGDR2 (0.52) PTGDR2PTGDRF2CYP1A2CYP2C9

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 146/4885PTGDR 82/4885F2 4088/4885

“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.