SCHEMBL5824702

SCHEMBL5824702

COCC(C)(C)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
LTA4H P09960 1/20 0.35
BCHE P06276 1/20 0.35
TP53 P04637 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
SCHEMBL12882981 0.84 TSHR (0.43) TSHRIDO1AGXTALDH1A1KDM4E
SCHEMBL21327698 0.81 TSHR (0.48) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL13062713 0.81 TSHR (0.45) TSHRIDO1AGXTALDH1A1KDM4E
SCHEMBL12879586 0.79 TSHR (0.46) TSHRIDO1AGXTALDH1A1KDM4E
SCHEMBL4421706 0.78 TSHR (0.41) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL4572409 0.78 KDM4E (0.45) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL3926293 0.78 ALDH1A1 (0.38) TSHRIDO1AGXTALDH1A1KDM4E
SCHEMBL9903817 0.78 TSHR (0.44) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL17477217 0.78 IDO1 (0.46) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL283052 0.78 KDM4E (0.47) TSHRIDO1AGXTALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TSHR 293/4885IDO1 1935/4885AGXT 1949/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TSHR 394/4885IDO1 2262/4885AGXT 2127/4885

“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.