SCHEMBL3243068

SCHEMBL3243068

CCCCC(O)CC1CO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
PDCD4 Q53EL6 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GPR84 Q9NQS5 4/20 0.34
THRB P10828 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL3235400 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PDCD4DAGLATDP1
SCHEMBL3238484 0.94 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PDCD4DAGLATDP1
SCHEMBL11879201 0.92 ALDH1A1 (0.50) ALDH1A1PDCD4DAGLATDP1GPR84
SCHEMBL27891494 0.92 ALDH1A1 (0.50) ALDH1A1PDCD4DAGLATDP1GPR84
SCHEMBL21081918 0.92 ALDH1A1 (0.50) ALDH1A1PDCD4DAGLATDP1GPR84
SCHEMBL28001429 0.92 ALDH1A1 (0.50) ALDH1A1PDCD4DAGLATDP1GPR84
SCHEMBL17253429 0.89 ALDH1A1 (0.47) ALDH1A1PDCD4DAGLATDP1GPR84
Oxirane SCHEMBL8570225 0.87 DAGLA (0.47) ALDH1A1PDCD4DAGLATDP1GPR84
SCHEMBL13589341 0.87
SCHEMBL990913 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072696-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES NATIONAL SCIENCE FOUNDATION 2018-03-15 US disclosed
US-9719030-B2 Epoxide-based hydrogen sulfide scavengers ECOLAB USA INC. (US) 2017-08-01 US disclosed
US-9719030-B2 Epoxide-based hydrogen sulfide scavengers ECOLAB USA INC. (US) 2017-08-01 US disclosed
US-9676743-B2 Substituted 3-hydroxy-δ-lactones from epoxides CORNELL UNIVERSITY (US) 2017-06-13 US disclosed
US-20150001132-A1 EPOXIDE-BASED HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC. 2015-01-01 US disclosed
US-20150001132-A1 EPOXIDE-BASED HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC. 2015-01-01 US disclosed
WO-2014210166-A1 EPOXIDE-BASED HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC. (US) 2014-12-31 WO disclosed
US-20140107339-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES CORNELL UNIVERSITY (US) 2014-04-17 US disclosed
US-8530677-B2 Substituted 3-hydroxy-delta-lactones from epoxides CORNELL UNIVERSITY (US) 2013-09-10 US disclosed
US-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides ENERGY, UNITED STATES DEPARTMENT OF 2010-06-10 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 (3 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-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides EBP, CYP8B1, HSD3B2 ALDH1A1 319/4885SMN1; SMN2 4636/4885PDCD4 2877/4885
US-20180072696-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES EBP, CYP8B1, HSD3B2 ALDH1A1 319/4885SMN1; SMN2 4636/4885PDCD4 2877/4885
US-20140107339-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES EBP, CYP8B1, HSD3B2 ALDH1A1 319/4885SMN1; SMN2 4636/4885PDCD4 2877/4885

“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.