SCHEMBL5824912

SCHEMBL5824912

COc1ccc(OCCSc2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
LTA4H P09960 4/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ESR2 Q92731 1/20 0.50
APP P05067 1/20 0.50
MAPT P10636 2/20 0.47

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 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL10346037 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL10345795 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL10345911 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9770356 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9768860 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL5825180 0.84 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL24845052 0.83 LTA4H (0.64) LTA4HESR2APPMAPTCALM1
SCHEMBL5824404 0.83 ESR1 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5824818 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1

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
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
US-4891297-A STORAGE STABILITY, HIGH COLOR DENSITY FUJI PHOTO FILM CO.,LTD. (JP) 1990-01-02 US 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 NPC1 4167/4885RAB9A 1208/4885SMN1; SMN2 4616/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA NPC1 4076/4885RAB9A 1132/4885SMN1; SMN2 4780/4885

“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.