SCHEMBL3072328

SCHEMBL3072328

CN(C)C=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
APP P05067 1/20 0.40
TSHR P16473 1/20 0.38
PTPN1 P18031 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8407001 0.80 ALDH1A1 (0.39) ALDH1A1CRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL17887331 0.76 MAPT (0.41) ALDH1A1CRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL9889241 0.74 APP (0.50) ALDH1A1CRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL9730908 0.73
SCHEMBL12041925 0.72 ALDH1A1 (0.45) ALDH1A1CRHBPCRHR2SMN1; SMN2APP
SCHEMBL5171537 0.70 PTPN1 (0.45) ALDH1A1CRHBPCRHR2SMN1; SMN2TSHR
SCHEMBL18098832 0.70 ALDH1A1 (0.44) ALDH1A1CRHBPCRHR2SMN1; SMN2TSHR
SCHEMBL796744 0.68 KMT2A (0.44) ALDH1A1CRHBPCRHR2SMN1; SMN2TSHR
SCHEMBL13467414 0.67 ALDH1A1 (0.42) ALDH1A1CRHBPCRHR2SMN1; SMN2APP
SCHEMBL3077632 0.67 PTPN1 (0.47) ALDH1A1CRHBPCRHR2SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6461417-B1 Ink compositions XEROX CORPORATION 2002-10-08 US claimed
US-6117223-A Hot melt inks containing polyketones XEROX CORPORATION (US) 2000-09-12 US claimed
EP-3445826-B1 RADIATION CURABLE INK FORMULATION FLINT GROUP GERMANY GMBH (DE) 2021-07-14 EP disclosed
US-20190106583-A1 RADIATION CURABLE INK FORMULATION FLINT GROUP SWEDEN AB (SE) 2019-04-11 US disclosed
WO-2017182638-A1 RADIATION CURABLE INK FORMULATION FLINT GROUP GERMANY GMBH (DE) 2017-10-26 WO disclosed
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 US disclosed
US-6461417-B1 Ink compositions XEROX CORPORATION 2002-10-08 US disclosed
US-6117223-A Hot melt inks containing polyketones XEROX CORPORATION (US) 2000-09-12 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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 ALDH1A1 2507/4885CRHBP 4732/4885CRHR2 3803/4885

“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.