SCHEMBL12290664

SCHEMBL12290664

CCOC(=O)CC(=O)CC(C)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.47
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HTT P42858 1/20 0.40
NR3C2 P08235 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
PPID Q08752 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
SCHEMBL12290669 0.80 NR3C2 (0.42) NLRP3ALDH1A1HTTNR3C2
SCHEMBL5972758 0.76 TSHR (0.48) NLRP3ALDH1A1TSHRHTTMEN1
SCHEMBL2320013 0.75 ALDH1A1 (0.47) NLRP3ALDH1A1TSHRHTTMEN1
SCHEMBL12499810 0.75 ALDH1A1 (0.47) NLRP3ALDH1A1TSHRHTTMEN1
SCHEMBL10249906 0.75 TSHR (0.47) NLRP3ALDH1A1TSHRMEN1NPC1
SCHEMBL9316342 0.75 ALDH1A1 (0.50) ALDH1A1TSHRGAAMGAMSI
SCHEMBL7824806 0.75 NLRP3 (0.48) NLRP3ALDH1A1MAPK1PPID
SCHEMBL6841260 0.74 FFAR1 (0.49)
SCHEMBL12329342 0.74 NR3C2 (0.42) ALDH1A1TSHRHTTNR3C2MEN1
SCHEMBL363983 0.74 TSHR (0.48) NLRP3ALDH1A1TSHRGAAMAPK1

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
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 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-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 NLRP3 2129/4885ALDH1A1 781/4885TSHR 2940/4885

“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.