SCHEMBL5824404

SCHEMBL5824404

Oc1ccc(SCCOc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
CYP19A1 P11511 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
LTA4H P09960 3/20 0.43
NR5A1 Q13285 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL5825178 0.83 NPC1 (0.51) ALDH1A1LTA4HNR5A1NPC1RAB9A
SCHEMBL5824818 0.83 NPC1 (0.57) ESR1ESR2ALDH1A1LTA4HNR5A1
SCHEMBL5824912 0.83 NPC1 (0.57) ESR2ALDH1A1LTA4HNR5A1NPC1
SCHEMBL10407801 0.82 DRD4 (0.53) ESR1CYP19A1ESR2ALDH1A1LTA4H
SCHEMBL5825018 0.81 POLB (0.58) ESR1CYP19A1ESR2POLBLTA4H
SCHEMBL5825322 0.81 ESR2 (0.45) ESR2ALDH1A1POLBNPC1RAB9A
SCHEMBL10345731 0.80 ALDH1A1 (0.51) ALDH1A1POLBLTA4H
SCHEMBL5825113 0.79 LTA4H (0.44) POLBLTA4HNR5A1NPC1RAB9A
SCHEMBL5825422 0.77 RAB9A (0.54) ESR1ESR2ALDH1A1POLBNPC1
SCHEMBL10407406 0.76 TDP1 (0.53) ESR1ESR2ALDH1A1NPC1RAB9A

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 ESR1 1243/4885CYP19A1 1525/4885ESR2 928/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ESR1 1990/4885CYP19A1 1905/4885ESR2 1144/4885

“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.