SCHEMBL3077632

SCHEMBL3077632

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 16/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL6345261 0.73 ALDH1A1 (0.45) PTPN1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL9730908 0.73
SCHEMBL12041925 0.72 ALDH1A1 (0.45) PTPN1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL419945 0.72 NFKB1 (0.31)
SCHEMBL3082671 0.71 L3MBTL1 (0.49) PTPN1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL5171537 0.70 PTPN1 (0.45) PTPN1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL21701189 0.69 ALDH1A1 (0.46) PTPN1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL796744 0.68 KMT2A (0.44) PTPN1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL7137074 0.67 ALDH1A1 (0.47) PTPN1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL21218107 0.67 ALDH1A1 (0.55) ALDH1A1L3MBTL1TSHRSMN1; SMN2CYP1A2

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
US-20190049838-A1 Photosensitive Microcapsules ENCAPSYS, LLC 2019-02-14 US 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
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 WO 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

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 PTPN1 3818/4885ALDH1A1 2507/4885L3MBTL1 2575/4885

“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.