SCHEMBL10847481

SCHEMBL10847481

CC#Cc1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KDM4E B2RXH2 1/20 0.46
DBH P09172 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP12 P39900 3/20 0.41
MMP14 P50281 1/20 0.41
MMP15 P51511 1/20 0.41
MMP16 P51512 1/20 0.41
MMP26 Q9NRE1 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GSK3B P49841 1/20 0.40
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38

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
SCHEMBL22779121 0.82 KDM4E (0.44) SLC6A2SLC6A4SLC6A3KDM4EDBH
SCHEMBL10121174 0.80 KDM4E (0.62) KDM4EDBHGAARECQLGSK3B
SCHEMBL25834998 0.79 GSK3B (0.44) SLC6A2SLC6A4SLC6A3KDM4EDBH
SCHEMBL7402177 0.79 GAA (0.48) SLC6A2SLC6A4SLC6A3KDM4EDBH
SCHEMBL1226232 0.78 GSK3B (0.66) SLC6A3KDM4EDBHGAARECQL
SCHEMBL12184500 0.78 KDM4E (0.47) SLC6A2SLC6A3KDM4EDBHGAA
SCHEMBL10001336 0.77 ACACB (0.47) SLC6A2SLC6A4SLC6A3KDM4EGAA
SCHEMBL13814902 0.77 RARB (0.60) CYP1A1CYP1A2CYP1B1RARBRARG
SCHEMBL19174304 0.75 CYP1A1 (0.43) SLC6A2SLC6A4SLC6A3KDM4ECYP1A1
SCHEMBL3863011 0.75 PARP10 (0.47) SLC6A2SLC6A4SLC6A3RECQLCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290791-B2 Reagents and methods for sirtuin capture CORNELL UNIVERSITY (US) 2016-03-22 US disclosed
US-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE CORNELL UNIVERSITY (US) 2013-03-14 US disclosed
US-4609668-A AGRICULTURE SANDOZ LTD. (CH) 1986-09-02 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-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE SIRT3, SIRT1, SIRT2 SLC6A2 4464/4885SLC6A4 4683/4885SLC6A3 4716/4885

“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.