SCHEMBL21115339

SCHEMBL21115339

CC(C)(C)OC(=O)/C=C\I

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
XPO1 O14980 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP2C9 P11712 1/20 0.30
SLC6A2 P23975 1/20 0.30
TBXAS1 P24557 1/20 0.30
CYP2C19 P33261 1/20 0.30
DRD3 P35462 1/20 0.30
OPRK1 P41145 1/20 0.30
PDE4D Q08499 1/20 0.30
KCNH2 Q12809 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
SCHEMBL19574338 1.00 DGAT1 (0.36) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL43004 0.86 HCAR2 (0.45) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL43764 0.86 HCAR2 (0.45) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL375029 0.86 HCAR2 (0.45) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL11283926 0.81 DGAT1 (0.37) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL19008840 0.79 HCAR2 (0.39) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL391778 0.79 DGAT1 (0.36) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL28613967 0.79 DGAT1 (0.36) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL21521062 0.79 DGAT1 (0.36) DGAT1KEAP1NFE2L2HCAR2XPO1
SCHEMBL391777 0.79 DGAT1 (0.36) DGAT1KEAP1NFE2L2HCAR2XPO1

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
US-12234238-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2025-02-25 US disclosed
US-20240239800-A1 PYRROLO[2,3-D]PYRIMIDIN-2-ONE ANTIMICROBIAL COMPOUNDS RIB-X PHARMACEUTICALS, INC. 2024-07-18 US disclosed
US-20210253589-A1 AMINOMETHYLAMIDINE AND METHYLAMIDINE ANTIMICROBIAL COMPOUNDS BioVersys AG (CH) 2021-08-19 US disclosed
US-10815237-B2 Antimicrobials and methods of making and using same BioVersys AG (CH) 2020-10-27 US disclosed
US-20190194205-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME MELINTA THERAPEUTICS, INC. 2019-06-27 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 (5 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-20190194205-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME LPO, OAT, MPO DGAT1 1530/4885KEAP1 392/4885NFE2L2 688/4885
US-10815237-B2 Antimicrobials and methods of making and using same LPO, OAT, MPO DGAT1 1530/4885KEAP1 392/4885NFE2L2 688/4885
US-12234238-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, OAT DGAT1 1676/4885KEAP1 163/4885NFE2L2 284/4885
US-20240239800-A1 PYRROLO[2,3-D]PYRIMIDIN-2-ONE ANTIMICROBIAL COMPOUNDS LPO, MAVS, FPR2 DGAT1 2160/4885KEAP1 886/4885NFE2L2 200/4885
US-20210253589-A1 AMINOMETHYLAMIDINE AND METHYLAMIDINE ANTIMICROBIAL COMPOUNDS MTAP, PRMT3, AMPD2 DGAT1 2408/4885KEAP1 2169/4885NFE2L2 714/4885

“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.