SCHEMBL3561899

SCHEMBL3561899

CCOC(=O)CC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP8 P22894 1/20 0.40
F10 P00742 2/20 0.40
F2 P00734 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
MIF P14174 1/20 0.39
PPID Q08752 1/20 0.38
TP53 P04637 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5884516 0.88 MTNR1A (0.41) SMN1; SMN2ALDH1A1TSHRMIFMTNR1A
SCHEMBL15547346 0.83 MTNR1A (0.43) SMN1; SMN2ALDH1A1MIFMTNR1AMTNR1B
SCHEMBL1430902 0.83 MIF (0.56) SMN1; SMN2MIFMTNR1AMTNR1B
SCHEMBL1011206 0.78 MTNR1A (0.60) ALDH1A1MIFMTNR1AMTNR1BLMNA
SCHEMBL31555289 0.77 F2 (0.56) MMP8F10F2ALDH1A1TSHR
SCHEMBL6275425 0.77 F10 (0.33) L3MBTL1SMN1; SMN2MMP8F10F2
SCHEMBL7699371 0.76 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2MMP8ALDH1A1TP53
SCHEMBL3748652 0.76 TRPA1 (0.40) SMN1; SMN2MIFMTNR1AMTNR1B
SCHEMBL3572821 0.74 SMN1; SMN2 (0.43) L3MBTL1SMN1; SMN2MMP8ALDH1A1TP53
SCHEMBL4391737 0.74 ESR1 (0.43) ALDH1A1MIF

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 L3MBTL1 4819/4885SMN1; SMN2 4446/4885MMP8 789/4885

“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.