SCHEMBL18106232

SCHEMBL18106232

C=CCOCCOCNCCCCCCNC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 2/20 0.31
TGM2 P21980 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
PRMT1 Q99873 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
SCHEMBL25371614 0.85 EPHX2 (0.38) ZDHHC20ZDHHC2EPHX2KDM4ELMNA
SCHEMBL5622292 0.79 MEN1 (0.35) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL24133101 0.76 ACHE (0.50) EPHX2TGM2
SCHEMBL19691978 0.74 KDM4E (0.41) KDM4ELMNAKMT2AALDH1A1NPC1
SCHEMBL9353632 0.72
Bicarbonate SCHEMBL932354 0.71 POLB (0.43) LMNAKMT2AALDH1A1MEN1CYP3A4
Bicarbonate SCHEMBL10762215 0.71 POLB (0.43) LMNAKMT2AALDH1A1MEN1CYP3A4
SCHEMBL1469535 0.70 MAPT (0.54) ZDHHC20ZDHHC2EPHX2KDM4ELMNA
SCHEMBL30449957 0.70 MAPT (0.54) ZDHHC20ZDHHC2EPHX2KDM4ELMNA
SCHEMBL4021318 0.70 MAPT (0.54) ZDHHC20ZDHHC2EPHX2KDM4ELMNA

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-3231413-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2025-03-19 EP disclosed
EP-3359119-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2021-12-29 EP disclosed
US-11166883-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-11-09 US disclosed
EP-3277248-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2020-07-01 EP disclosed
US-10588830-B2 Dental composition DENTSPLY SIRONA INC. (US) 2020-03-17 US disclosed
EP-3359118-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2020-01-29 EP disclosed
US-20190117522-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-04-25 US disclosed
US-20180303722-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2018-10-25 US disclosed
US-20180289592-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2018-10-11 US disclosed
US-20180092811-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2018-04-05 US disclosed
EP-3231413-A1 DENTAL COMPOSITION DENTSPLY DETREY GmbH (DE) 2017-10-18 EP disclosed
EP-3153150-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2017-04-12 EP disclosed
EP-3075372-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2016-10-05 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 (6 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-20190117522-A1 DENTAL COMPOSITION MSR1, TAS2R3, TAS2R39 ZDHHC20 4263/4885ZDHHC2 4431/4885EPHX2 1452/4885
US-20180289592-A1 DENTAL COMPOSITION AP2M1, CAD, ERAL1 ZDHHC20 407/4885ZDHHC2 746/4885EPHX2 2784/4885
US-20180092811-A1 DENTAL COMPOSITION PHOSPHO1, PFAS, PLCG2 ZDHHC20 4366/4885ZDHHC2 4786/4885EPHX2 1215/4885
US-10588830-B2 Dental composition CAD, ALG8, KATNAL2 ZDHHC20 391/4885ZDHHC2 883/4885EPHX2 455/4885
US-20180303722-A1 DENTAL COMPOSITION CAD, ALG8, KATNAL2 ZDHHC20 391/4885ZDHHC2 883/4885EPHX2 455/4885
US-11166883-B2 Dental composition MSR1, TAS2R3, TAS2R39 ZDHHC20 4263/4885ZDHHC2 4431/4885EPHX2 1452/4885

“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.