SCHEMBL17559271

SCHEMBL17559271

CC(C)(C)NCC(=O)O.[KH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CTH P32929 1/20 0.39
DPP4 P27487 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
LDHA P00338 1/20 0.37
SRR Q9GZT4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR3 O14843 1/20 0.35
MME P08473 1/20 0.34

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
SCHEMBL1717828 0.97 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACTH
SCHEMBL41886 0.97
Hydrochloric Acid SCHEMBL1092821 0.94 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACTH
Hydrochloric Acid SCHEMBL28883817 0.94 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACTH
Methane SCHEMBL27575418 0.94 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACTH
Acetic Acid SCHEMBL20839531 0.92 CTH (0.42) HMGCRCHRM1TBXA2RADRA1ACTH
SCHEMBL28060901 0.87 DPP4 (0.35) HMGCRCHRM1TBXA2RADRA1ACTH
Hydrogen Sulfide SCHEMBL27991575 0.85 EGLN1 (0.37) HMGCRCHRM1TBXA2RADRA1ACTH
SCHEMBL14805819 0.83 EGLN1 (0.40) CTHDPP4EGLN1ALDH1A1LMNA
SCHEMBL8654274 0.83 DPP4 (0.33) HMGCRCHRM1TBXA2RADRA1ACTH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188832-B1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RES & DEV (IL) 2023-10-04 EP disclosed
US-20170283447-A1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-10-05 US disclosed
EP-3188832-A1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS Yeda Research and Development Co., Ltd. (IL) 2017-07-12 EP disclosed
WO-2016035080-A1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-03-10 WO 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-20170283447-A1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS ADH1A, ADH1C, ADH5 HMGCR 4154/4885CHRM1 632/4885TBXA2R 4418/4885

“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.