SCHEMBL6444313

SCHEMBL6444313

CC(=O)C[C@@H](O)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.60
MMP13 P45452 5/20 0.60
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
MMP14 P50281 1/20 0.60
DPP4 P27487 1/20 0.59
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TRPA1 O75762 2/20 0.51
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL6444318 1.00 MMP12 (0.60) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11252397 0.89 TRPA1 (0.60) MMP12MMP13MMP2MMP9MMP14
Acetic Acid SCHEMBL7279901 0.86 TSHR (0.58) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4745347 0.85 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8333817 0.85 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL687094 0.85 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5577068 0.81 MMP12 (0.60) MMP12MMP13MMP2MMP9MMP14
SCHEMBL28977372 0.81 TRPA1 (0.61) ALDH1A1POLBTRPA1
SCHEMBL4656173 0.81 MMP12 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3098659 0.80 MMP12 (0.58) MMP12MMP13MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919456-B2 Catalytic compositions and methods for asymmetric aldol reactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-07-19 US disclosed
EP-1409122-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-04-21 EP disclosed
US-6610889-B2 Using organometallic complex catalyst THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-08-26 US disclosed
US-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-10 US disclosed
WO-2002041984-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-05-30 WO 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-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A MMP12 3499/4885MMP13 4329/4885MMP2 3131/4885

“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.