SCHEMBL6689255

SCHEMBL6689255

CC(Oc1ccccc1CC(=O)O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLK1 P53350 1/20 0.43
CXCL8 P10145 2/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7332028 0.88 MEN1 (0.45) ALDH1A1LMNAPLK1CXCL8MEN1
SCHEMBL3941649 0.77 CXCL8 (0.54) ALDH1A1LMNATSHRCXCL8KDM4E
SCHEMBL23229157 0.77 CXCL8 (0.54) CXCL8POLBKMT2A
SCHEMBL8998082 0.75 POLB (0.52) TSHRPLK1POLBMEN1KMT2A
SCHEMBL28113033 0.74 TSHR (0.58) ALDH1A1SMN1; SMN2LMNACYP3A4TSHR
SCHEMBL6689247 0.74 DRD1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4565147 0.73 LTB4R (0.54) CXCL8MEN1KMT2A
SCHEMBL4565149 0.73 LTB4R (0.54) CXCL8MEN1KMT2A
SCHEMBL24200105 0.73 CXCL8 (0.50) CXCL8
SCHEMBL8086435 0.73 CXCL8 (0.50) CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 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 (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-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 ALDH1A1 474/4885HPGD 1207/4885SMN1; SMN2 2335/4885

“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.