SCHEMBL3782820

SCHEMBL3782820

COC(=O)C(C)(C)Oc1ccc(Cl)c2nc(OC(F)F)c(Cc3ccc(Cl)cc3)c(C)c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 16/20 0.36
PPARA Q07869 3/20 0.33
PPARD Q03181 2/20 0.33
OPRK1 P41145 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 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
SCHEMBL3779601 0.91 PPARA (0.39) P2RX3PPARAPPARDCYP1A2CYP3A4
SCHEMBL3772027 0.85 P2RX3 (0.38) P2RX3
SCHEMBL3781075 0.84 PTGDR2 (0.36) P2RX3TSHR
SCHEMBL3780751 0.83 TSHR (0.44) P2RX3PPARAPPARDTSHRHTR2A
SCHEMBL3777818 0.82 PTGDR2 (0.44) P2RX3PPARDTSHR
SCHEMBL2575021 0.78 PTGDR2 (0.33) P2RX3TSHR
SCHEMBL3772529 0.78 ALDH1A1 (0.38) CYP1A2CYP3A4
SCHEMBL3783447 0.77 PTGDR2 (0.43) P2RX3
SCHEMBL534128 0.76 MAPT (0.35)
SCHEMBL2572541 0.76 PTGDR2 (0.39) PPARAPPARDTSHR

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 P2RX3 263/4885PPARA 718/4885PPARD 779/4885

“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.