SCHEMBL13052083

SCHEMBL13052083

CCC(=O)C(C)(C)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL31302979 0.78 SMN1; SMN2 (0.45) SMN1; SMN2TSHRALDH1A1MAPK1HTT
SCHEMBL13052086 0.78 MEN1 (0.35) SMN1; SMN2ALDH1A1HTTPOLBHPGD
SCHEMBL7229299 0.76 SMN1; SMN2 (0.37) OPRM1OPRD1SMN1; SMN2TSHRALDH1A1
SCHEMBL1706642 0.76 ALDH1A1 (0.48) SMN1; SMN2TSHRALDH1A1MAPK1HTT
SCHEMBL12928715 0.76 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1MAPK1HTT
SCHEMBL16975534 0.75 MAPT (0.56) SMN1; SMN2TSHRALDH1A1MAPK1USP2
Hydrochloric Acid SCHEMBL25407374 0.74 ALDH1A1 (0.47) SMN1; SMN2TSHRALDH1A1MAPK1HTT
SCHEMBL4256867 0.74 ALDH1A1 (0.47) SMN1; SMN2TSHRALDH1A1MAPK1HTT
SCHEMBL22360354 0.74 SMN1; SMN2 (0.45) SMN1; SMN2TSHRALDH1A1MAPK1HTT
SCHEMBL2862694 0.74 SMN1; SMN2 (0.45) SMN1; SMN2TSHRALDH1A1MAPK1HTT

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
CN-114478436-B Alpha-aminoketone photoinitiator modified by containing polymerizable itaconic acid group, and preparation method and application thereof 浙江扬帆新材料股份有限公司 2024-04-30 CN claimed
CN-114478436-B Alpha-aminoketone photoinitiator modified by containing polymerizable itaconic acid group, and preparation method and application thereof 浙江扬帆新材料股份有限公司 2024-04-30 CN disclosed
US-7838110-B2 Aziridine-functional photoactive crosslinking compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-11-23 US disclosed
US-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2010-06-03 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-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS PTMA, PAM, AAAS OPRM1 1464/4885OPRD1 564/4885SMN1; SMN2 3912/4885

“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.