SCHEMBL20817543

SCHEMBL20817543

Cn1nccc1-c1cccc(OCCOc2ccc(C#N)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ICMT O60725 6/20 0.76
CYP1A2 P05177 2/20 0.54
CYP19A1 P11511 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 1/20 0.47
SCN9A Q15858 2/20 0.45
TBXAS1 P24557 2/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
PORCN Q9H237 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30618813 1.00 ICMT (0.76) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL30618764 0.89 ICMT (0.71) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL20817661 0.89 ICMT (0.71) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL20817548 0.87 ICMT (0.78) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL30618725 0.87 ICMT (1.00) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL20817566 0.87 ICMT (1.00) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL30618806 0.87 ICMT (0.78) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL20817554 0.87 ICMT (0.78) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL30618738 0.87 ICMT (0.78) ICMTCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL20817559 0.86 ICMT (0.61) ICMTCYP1A2CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344284-B Compounds useful as inhibitors of isoprene cysteine carboxymethyltransferase 新加坡科技研究局 2024-03-12 CN disclosed
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-05 US disclosed
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-05 US disclosed
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-05 US disclosed
US-20210130317-A1 Compounds Useful as Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-06 US disclosed
US-20210130317-A1 Compounds Useful as Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-06 US disclosed
EP-3681878-A1 COMPOUNDS USEFUL AS INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE Agency for Science, Technology and Research (SG) 2020-07-22 EP disclosed
CN-111344284-A Compounds useful as inhibitors of isoprene cysteine carboxymethyltransferase 新加坡科技研究局 2020-06-26 CN disclosed
WO-2019054944-A1 COMPOUNDS USEFUL AS INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-21 WO disclosed
WO-2019054944-A1 COMPOUNDS USEFUL AS INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-21 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 (2 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-20210130317-A1 Compounds Useful as Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase ICMT, INMT, BHMT ICMT 1/4885CYP1A2 1135/4885CYP19A1 1361/4885
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase ICMT, INMT, BHMT ICMT 1/4885CYP1A2 1135/4885CYP19A1 1361/4885

“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.