SCHEMBL4065004

SCHEMBL4065004

O=C(CCC1CCCCC1)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.59
L3MBTL1 Q9Y468 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48
MIF P14174 1/20 0.48

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
SCHEMBL9265342 0.98 KLK7 (0.60) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL7495579 0.95 KLK7 (0.57) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL2232191 0.92 ALDH1A1 (0.56) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL16417273 0.89 KLK7 (0.51) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL29307410 0.87 ALDH1A1 (0.50) KLK7L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL20023110 0.85 MEN1 (0.50) KLK7TDP1ALDH1A1MAPK1MEN1
SCHEMBL7060349 0.85 ITGB3 (0.49) KLK7L3MBTL1ALDH1A1MAPK1
SCHEMBL31061934 0.85 ALDH1A1 (0.49) KLK7L3MBTL1ALDH1A1MAPK1MEN1
SCHEMBL304920 0.84 NPC1 (0.55) L3MBTL1TDP1ALDH1A1MAPK1MEN1
SCHEMBL31226906 0.84 KLK7 (0.50) KLK7L3MBTL1TDP1ALDH1A1MEN1

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
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 KLK7 3657/4885L3MBTL1 1819/4885TDP1 3362/4885

“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.