SCHEMBL1459289

SCHEMBL1459289

O=C1C[C@@H](CCOCc2ccccc2)O1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AKT1 P31749 1/20 0.45
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.43
PTPN1 P18031 2/20 0.43
CDC25B P30305 1/20 0.43
PDE4D Q08499 1/20 0.41
NAAA Q02083 1/20 0.40
DAO P14920 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AGTR2 P50052 1/20 0.38
LTA4H P09960 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1459291 1.00 LMNA (0.49) LMNAMEN1KMT2AAKT1TSHR
SCHEMBL12903277 0.89 LMNA (0.49) LMNAMEN1KMT2AAKT1TSHR
SCHEMBL3142790 0.83 LMNA (0.63) LMNAAKT1TSHRPTPN1CDC25B
SCHEMBL18227496 0.83 LMNA (0.46) LMNAMEN1KMT2AAKT1TSHR
SCHEMBL18227495 0.83 LMNA (0.46) LMNAMEN1KMT2AAKT1TSHR
SCHEMBL16464737 0.80 LMNA (0.46) LMNAMEN1KMT2ATSHRPTPN1
SCHEMBL27708134 0.80 LMNA (0.43) LMNAMEN1KMT2AAKT1TSHR
SCHEMBL27708155 0.80 LMNA (0.43) LMNAMEN1KMT2AAKT1TSHR
SCHEMBL29606950 0.80 MEN1 (0.68) LMNAMEN1KMT2ATSHRPDE4D
SCHEMBL334304 0.80 MEN1 (0.68) LMNAMEN1KMT2ATSHRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718052-B2 Catalysts and related processes for producing optically pure beta-lactones from aldehydes and compositions produced thereby THE UNIVERSITY OF TOLEDO (US) 2017-08-01 US disclosed
US-20170021343-A1 Catalysts and Related Processes For Producing Optically Pure Beta-Lactones From Aldehydes and Compositions Produced Thereby THE UNIVERSITY OF TOLEDO (US) 2017-01-26 US disclosed
US-9334266-B2 Catalysts and related processes for producing optically pure beta-lactones from aldehydes and compositions produced thereby THE UNIVERSITY OF TOLEDO (US) 2016-05-10 US disclosed
US-20120196740-A1 Process for Producing Optically Pure beta-Lactones from Aldehydes and Compositions Produced Thereby UNIVERSITY OF TOLEDO (US) 2012-08-02 US disclosed
EP-2473515-A1 PROCESSES FOR PRODUCING OPTICALLY PURE -LACTONES FROM ALDEHYDES AND COMPOSITIONS PRODUCED THEREBY UNIVERSITY OF TOLEDO (US) 2012-07-11 EP disclosed
WO-2011028309-A1 PROCESSES FOR PRODUCING OPTICALLY PURE β-LACTONES FROM ALDEHYDES AND COMPOSITIONS PRODUCED THEREBY UNIVERSITY OF TOLEDO (US) 2011-03-10 WO 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-20170021343-A1 Catalysts and Related Processes For Producing Optically Pure Beta-Lactones From Aldehydes and Compositions Produced Thereby COASY, DCXR, TKT LMNA 655/4885MEN1 898/4885KMT2A 1733/4885
US-20120196740-A1 Process for Producing Optically Pure beta-Lactones from Aldehydes and Compositions Produced Thereby COASY, DCXR, DHPS LMNA 828/4885MEN1 1101/4885KMT2A 1950/4885

“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.