SCHEMBL6496757

SCHEMBL6496757

CC(C)=CCCC(C)=CCC1=C(CC=C(C)CCC=C(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.82
MAPT P10636 3/20 0.82
PDE4A P27815 2/20 0.82
SNCA P37840 2/20 0.82
PDE3A Q14432 2/20 0.82
PGR P06401 1/20 0.82
HTR1A P08908 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
MAPK1 P28482 1/20 0.82
DRD3 P35462 1/20 0.82
DHODH Q02127 2/20 0.57
MAOB P27338 2/20 0.56
ALOX5 P09917 8/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL974934 0.91 MAPT (0.74) PTGS1MAPTPDE4ASNCAPDE3A
Menaquinone-2 SCHEMBL30606255 0.91 PTGS1 (0.97) PTGS1MAPTPDE4ASNCAPDE3A
Menaquinone-2 SCHEMBL29355593 0.91 PTGS1 (0.97) PTGS1MAPTPDE4ASNCAPDE3A
Menaquinone-2 SCHEMBL416517 0.91 PTGS1 (0.97) PTGS1MAPTPDE4ASNCAPDE3A
Menaquinone-2 SCHEMBL571905 0.91 PTGS1 (0.97) PTGS1MAPTPDE4ASNCAPDE3A
SCHEMBL974935 0.91 MAPT (0.74) PTGS1MAPTPDE4ASNCAPDE3A
SCHEMBL10055449 0.90 PTGS1 (1.00) PTGS1MAPTPDE4ASNCAPDE3A
SCHEMBL571907 0.90 PTGS1 (1.00) PTGS1MAPTPDE4ASNCAPDE3A
Menatetrenone SCHEMBL571912 0.90 PTGS1 (1.00) PTGS1MAPTPDE4ASNCAPDE3A
Menaquinone 6 SCHEMBL244452 0.90 PTGS1 (1.00) PTGS1MAPTPDE4ASNCAPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176778-A1 Isoprenyl derivatives and their use in the title treatment and prevention of osteoporosis and cardiovascular calcification VITAK BV (NL) 2005-08-11 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-20050176778-A1 Isoprenyl derivatives and their use in the title treatment and prevention of osteoporosis and cardiovascular calcification SOST, PTH1R, PTMS PTGS1 789/4885MAPT 4841/4885PDE4A 2826/4885

“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.