SCHEMBL3317072

SCHEMBL3317072

CC(OC(N)=O)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.35
SSTR4 P31391 2/20 0.34
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HPGD P15428 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
ALOX5 P09917 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL12919161 0.83 EPHX1 (0.35) EPHX1SSTR4GAAATMMEN1
SCHEMBL1560446 0.82 RECQL (0.31) SMN1; SMN2
SCHEMBL879060 0.81 MEN1 (0.33) EPHX1SSTR4GAAMEN1ALDH1A1
SCHEMBL12812732 0.81 EPHX1 (0.36) EPHX1SSTR4GAACES2CES1
SCHEMBL12332296 0.81 MEN1 (0.33) EPHX1SSTR4ATMMEN1ALDH1A1
SCHEMBL27466122 0.80 EPHX1 (0.36) EPHX1SSTR4GAAATMMEN1
SCHEMBL25068217 0.79 EPHX1 (0.35) EPHX1SSTR4GAALMNACES2
SCHEMBL19558199 0.76 SSTR4 (0.36) EPHX1SSTR4GAASMN1; SMN2EPHX2
SCHEMBL14094050 0.76 EPHX1 (0.33) EPHX1SSTR4GAA
SCHEMBL23795666 0.75 EPHX1 (0.34) EPHX1CES2CES1PDK1PDK2

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
EP-0228272-A2 Preparation of urethane substituted diacetylene monomers and polymers GTE LABORATORIES INCORPORATED (US) 1987-07-08 EP claimed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
EP-0228272-A2 Preparation of urethane substituted diacetylene monomers and polymers GTE LABORATORIES INCORPORATED (US) 1987-07-08 EP 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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 EPHX1 1347/4885SSTR4 1943/4885GAA 4240/4885

“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.