SCHEMBL19986355

SCHEMBL19986355

COC(=O)C(C(C)=O)c1ccc(C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
GRM4 Q14833 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL30094487 0.88 TAS1R3 (0.45) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL17290340 0.88 TAS1R3 (0.45) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL16865531 0.81 MT-CO2 (0.55) TAS1R3TAS1R1BCHEACHEMEN1
SCHEMBL19926033 0.80 LMNA (0.47) TAS1R3TAS1R1ALDH1A1KMT2ACYP2C19
SCHEMBL29875423 0.80 LMNA (0.47) TAS1R3TAS1R1ALDH1A1KMT2ACYP2C19
SCHEMBL17290945 0.80 CA12 (0.50) ACHEALDH1A1MEN1KMT2ACYP2C19
SCHEMBL19926360 0.80 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL23833631 0.79 MT-CO2 (0.43) ALDH1A1MEN1KMT2ABLMNPSR1
SCHEMBL803625 0.79 TAS1R3 (0.46) TAS1R3TAS1R1BCHEACHEALDH1A1
SCHEMBL30094600 0.79 MT-CO2 (0.43) ALDH1A1MEN1KMT2ABLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 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 (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-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 TAS1R3 4636/4885TAS1R1 4526/4885BCHE 4048/4885

“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.