SCHEMBL2605603

SCHEMBL2605603

C=C(CC(=O)NCCNC(=O)CC(=C)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ECE1 P42892 1/20 0.38
TET2 Q6N021 5/20 0.36
TET3 O43151 1/20 0.36
TET1 Q8NFU7 1/20 0.36
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL5175886 0.88 ALOX15 (0.40) ALOX15HSD17B10ECE1TET2TET3
SCHEMBL10065799 0.86 ALOX15 (0.39) ALOX15HSD17B10ECE1TET2TET3
SCHEMBL5282303 0.86 MCL1 (0.45) ALOX15HSD17B10MEN1KMT2A
SCHEMBL2605612 0.84 SMN1; SMN2 (0.43) ALOX15HSD17B10ECE1TET2ALDH1A1
SCHEMBL5288745 0.83 CASP2 (0.47) ALOX15MEN1KMT2A
SCHEMBL16802900 0.83 ALOX15 (0.36) ALOX15HSD17B10ECE1ALDH1A1SMN1; SMN2
SCHEMBL11345101 0.82 ALOX15 (0.43) ALOX15HSD17B10TET2TET3TET1
SCHEMBL5177523 0.80 MCL1 (0.41) ALOX15HSD17B10TET2TET3TET1
SCHEMBL20165518 0.80 MEN1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL11234062 0.80 CASP2 (0.58) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444053-B1 Dental cement composition DENTSPLY DETREY GMBH (DE) 2020-05-06 EP disclosed
US-20180071175-A1 DENTAL CEMENT COMPOSITION DENTSPLY INTERNATIONAL INC. (US) 2018-03-15 US disclosed
US-20180071175-A1 DENTAL CEMENT COMPOSITION DENTSPLY INTERNATIONAL INC. (US) 2018-03-15 US disclosed
US-9668944-B2 Dental composition DENTSPLY INTERNATIONAL INC. (US) 2017-06-06 US disclosed
US-9668944-B2 Dental composition DENTSPLY INTERNATIONAL INC. (US) 2017-06-06 US disclosed
US-20150231040-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2015-08-20 US disclosed
US-20150231040-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2015-08-20 US disclosed
US-20140039088-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2014-02-06 US disclosed
US-20140039088-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2014-02-06 US disclosed
WO-2012052163-A1 DENTAL CEMENT COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-04-26 WO disclosed
WO-2012052161-A1 DENTAL COMPOSITION DENTSPLY DE TREY GMBH (DE) 2012-04-26 WO disclosed
EP-2444052-A1 Dental composition Dentsply DeTrey GmbH (DE) 2012-04-25 EP disclosed
EP-2444053-A1 Dental cement composition Dentsply DeTrey GmbH (DE) 2012-04-25 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 (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-20150231040-A1 DENTAL COMPOSITION XRN2, NCLN, MPO ALOX15 2638/4885HSD17B10 2878/4885ECE1 4442/4885
US-20180071175-A1 DENTAL CEMENT COMPOSITION KATNA1, ASH2L, H1-0 ALOX15 2497/4885HSD17B10 4113/4885ECE1 4518/4885
US-20140039088-A1 DENTAL COMPOSITION XRN2, NCLN, MPO ALOX15 2638/4885HSD17B10 2878/4885ECE1 4442/4885

“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.