SCHEMBL2325440

SCHEMBL2325440

CCOP(=O)(O)CC(=O)c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
CTSD P07339 1/20 0.50
RAB9A P51151 4/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
CTNNB1 P35222 2/20 0.45
WNT3A P56704 2/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC1 Q13547 1/20 0.45
HPGD P15428 2/20 0.44

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
SCHEMBL4949878 0.87 CTSD (0.51) NPC1CTSDRAB9ATP53SMN1; SMN2
SCHEMBL2329569 0.83 F2R (0.45) ALDH1A1KCNK3KCNK9
SCHEMBL2331699 0.83 RAB9A (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3609087 0.83 CTSD (0.57) NPC1CTSDRAB9ATP53SMN1; SMN2
SCHEMBL1549244 0.82 KMT2A (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2322233 0.81 ERCC5 (0.44) RAB9ATP53SMN1; SMN2MAPTALDH1A1
SCHEMBL2327750 0.81 NPC1 (0.45) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2325431 0.78 CTSD (0.56) NPC1CTSDRAB9ATP53SMN1; SMN2
SCHEMBL5734845 0.76 POLB (0.57) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL878658 0.76 NPC1 (0.64) NPC1CTSDRAB9ATP53SMN1; SMN2

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-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 NPC1 655/4885CTSD 3943/4885RAB9A 3579/4885

“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.