SCHEMBL6041628

SCHEMBL6041628

CCOC(=O)c1cc(OCCCOC)c2cccc(OC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.49
HSD17B2 P37059 1/20 0.47
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
NPC1 O15118 2/20 0.41
CYP2C19 P33261 1/20 0.41
PTGER4 P35408 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HCRTR1 O43613 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 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
SCHEMBL672360 0.89 CDC25B (0.54) CDC25BHSD17B2MAPTRAB9ASMN1; SMN2
SCHEMBL6950752 0.85 MRGPRX4 (0.50) CDC25BRAB9ACYP2C9NPC1MEN1
SCHEMBL13131925 0.83 CDC25B (0.44) CDC25BHSD17B2MAPTRAB9ASMN1; SMN2
SCHEMBL6042081 0.81 CDC25B (0.52) CDC25BHSD17B2MAPTRAB9ASMN1; SMN2
SCHEMBL670507 0.80 HSD17B2 (0.57) CDC25BHSD17B2MAPTRAB9ASMN1; SMN2
SCHEMBL13131932 0.78 TSHR (0.42) HSD17B2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13131916 0.76 PTGER4 (0.41) HSD17B2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2806205 0.76 REN (0.44) HSD17B2MAPTRAB9ANPC1PTGER4
SCHEMBL6042539 0.75 SMN1; SMN2 (0.42) MAPTRAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL13131927 0.74 PTPN11 (0.44) HSD17B2PTGER4KDM4EALDH1A1TDP1

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-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 CDC25B 2903/4885HSD17B2 1643/4885MAPT 43/4885

“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.