SCHEMBL7187151

SCHEMBL7187151

CC1(C)CC(C(CC(=O)O)C(=O)O)CC(C)(C)N1O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL26977202 0.81 CHRM1 (0.35) GAACPN1CPB2L3MBTL1ALDH1A1
SCHEMBL7191030 0.81 CYP1A2 (0.34) GAACPN1CPB2L3MBTL1CYP1A2
SCHEMBL7879384 0.79 CA2 (0.37) GAACPN1CPB2L3MBTL1ALDH1A1
SCHEMBL756072 0.79 FFAR4 (0.37) TSHRALDH1A1ALOX15TDP1
SCHEMBL26977293 0.78 GPR84 (0.39)
SCHEMBL669633 0.77 HTT (0.39) GAACPN1CPB2CYP1A2TSHR
SCHEMBL669634 0.77 HTT (0.39) GAACPN1CPB2CYP1A2TSHR
SCHEMBL7509572 0.76 GPR84 (0.41)
SCHEMBL755538 0.76 GPR84 (0.41)
SCHEMBL26977190 0.76 GPR84 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310819-B1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2019-06-12 EP disclosed
US-10221255-B2 Composition for the immediate stopping of a free-radical polymerization BASF SE (DE) 2019-03-05 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
WO-2016202883-A1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2016-12-22 WO disclosed
EP-1345882-A2 METHOD FOR PRODUCING (METH)ACRYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 2003-09-24 EP disclosed
WO-2002051786-A2 METHOD FOR PRODUCING (METH)ACRYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed
WO-2000069793-A1 MIXTURE OF SUBSTANCES, COMPRISING STABILISERS AND COMPOUNDS WHICH CONTAIN VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2000-11-23 WO disclosed
EP-1034201-A1 METHOD FOR PRODUCING GRAFT POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2000-09-13 EP disclosed
EP-0941254-A1 METHOD FOR POLYMERIZING VINYL MONOMERS BASF AKTIENGESELLSCHAFT (DE) 1999-09-15 EP disclosed
WO-1999025749-A1 METHOD FOR PRODUCING GRAFT POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1999-05-27 WO disclosed
WO-1998023649-A1 METHOD FOR POLYMERIZING VINYL MONOMERS BASF AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed
EP-0815082-A1 4-ACYLAMINO PIPERIDIN-N-OXYLS BASF AKTIENGESELLSCHAFT (DE) 1998-01-07 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 (2 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-10221255-B2 Composition for the immediate stopping of a free-radical polymerization FASTKD5, TYK2, FASTKD1 GAA 4489/4885CPN1 1424/4885CPB2 1912/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 GAA 4489/4885CPN1 1424/4885CPB2 1912/4885

“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.