SCHEMBL3776193

SCHEMBL3776193

COC(=O)COc1ccc(Cl)c2nc(C)c(Cc3ccc(Cl)cc3)c(OC)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PLA2G2A P14555 1/20 0.37
PTGS2 P35354 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 3/20 0.36

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
SCHEMBL3782152 0.91 TDP1 (0.43) KDM4ENPSR1PTGDR2PLA2G2ATSHR
SCHEMBL3772679 0.90 LMNA (0.39) KDM4EKMT2ANPSR1LMNACYP1A2
SCHEMBL3771049 0.90 LMNA (0.39) KDM4EKMT2ANPSR1LMNACYP1A2
SCHEMBL3772144 0.90 PTGDR2 (0.43) KDM4EKMT2ANPSR1LMNACYP1A2
SCHEMBL3779500 0.88 LMNA (0.38) KDM4EKMT2ANPSR1LMNACYP1A2
SCHEMBL3771722 0.83 PTGDR2 (0.44) KDM4EKMT2ANPSR1LMNAALDH1A1
SCHEMBL3779205 0.83 ALDH1A1 (0.38) KDM4EKMT2ANPSR1LMNAALDH1A1
SCHEMBL3785291 0.82 PTGDR2 (0.50) KDM4EKMT2ALMNACYP1A2CYP2C9
SCHEMBL3779603 0.81 KDM4E (0.39) KDM4EKMT2ANPSR1LMNACYP1A2
SCHEMBL3780089 0.80 PTGDR2 (0.39) KDM4EKMT2ALMNAALDH1A1L3MBTL1

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 KDM4E 4638/4885KMT2A 3406/4885NPSR1 32/4885

“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.