SCHEMBL3779792

SCHEMBL3779792

COC(=O)COc1cc(C)cc2nc(Cl)c(Cc3ccc(Cl)cc3)c(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PLA2G2A P14555 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 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
SCHEMBL3777108 0.92 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL3777738 0.83 LMNA (0.42) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL3777976 0.81 TDP1 (0.44) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL3989733 0.78 LMNA (0.39) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL3345539 0.77 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL3782672 0.77 KMT2A (0.36) ALDH1A1HPGDKDM4EPKMMEN1
SCHEMBL3345108 0.76 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL3775770 0.75 PLA2G2A (0.45) ALDH1A1HPGDKDM4ELMNATP53
SCHEMBL27743397 0.75 PLA2G2A (0.41) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL27826430 0.74 PLA2G2A (0.42) ALDH1A1HPGDKDM4ELMNAPKM

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 4201/4885HPGD 1772/4885KDM4E 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.