SCHEMBL821932

SCHEMBL821932

O=C(OCCO)C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
MAPK1 P28482 1/20 0.52
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CHRM1 P11229 4/20 0.45
CHRM3 P20309 4/20 0.45
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.43
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL26611026 1.00 LMNA (0.52) LMNAMAPK1CES2CES1CHRM1
SCHEMBL424944 0.90 KDM4E (0.46) LMNAMAPK1CES2CES1CHRM1
SCHEMBL821833 0.89 LMNA (0.48) LMNAMAPK1CES2CES1CHRM1
SCHEMBL822133 0.87 LMNA (0.47) LMNAMAPK1CES2CES1CHRM1
SCHEMBL28408919 0.87 LMNA (0.43) LMNAMAPK1CES2CES1CHRM1
SCHEMBL822222 0.86 NPC1 (0.46) LMNAMAPK1CES2CES1CHRM1
SCHEMBL28353809 0.85 LMNA (0.52) LMNAMAPK1CES2CES1CHRM1
SCHEMBL9163095 0.84 LMNA (0.56) LMNAMAPK1CES2CES1CHRM1
SCHEMBL3454215 0.83 LMNA (0.55) LMNAMAPK1CES2CES1CHRM1
SCHEMBL9312670 0.83 LMNA (0.50) LMNAMAPK1CES2CES1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105765011-B Photo-curing ink-jet ink and application thereof 捷恩智株式会社 2020-02-28 CN disclosed
US-9982072-B2 Synthesis of acetal compounds AGFA NV (BE) 2018-05-29 US disclosed
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 LMNA 570/4885MAPK1 1917/4885CES2 810/4885

“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.