SCHEMBL20569876

SCHEMBL20569876

CCOC(=O)c1[nH]c2c(c1-c1ccccc1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
CYP1A2 P05177 2/20 0.51
XBP1 P17861 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 5/20 0.48
BRD4 O60885 1/20 0.46
ACHE P22303 4/20 0.46
CACNB4 O00305 2/20 0.46
CACNA1A O00555 2/20 0.46
CACNA1G O43497 2/20 0.46
CACNG3 O60359 2/20 0.46
CACNA1F O60840 2/20 0.46
CACNA1H O95180 2/20 0.46

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
SCHEMBL18060093 0.83 LMNA (0.62) ALDH1A1HPGDCYP1A2SMN1; SMN2MAPT
SCHEMBL18060137 0.81 LMNA (0.60) ALDH1A1HPGDCYP1A2SMN1; SMN2MAPT
SCHEMBL20568603 0.81 KDM4E (0.49) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL20568707 0.80 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL20568265 0.80 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7823939 0.78 LMNA (0.57) ALDH1A1HPGDCYP1A2CYP2C19MAPT
SCHEMBL11276300 0.76 LMNA (0.68) ALDH1A1HPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL7956193 0.76 LMNA (0.56) ALDH1A1HPGDCYP1A2CYP2C19MAPT
SCHEMBL24375267 0.75 LMNA (0.55) ALDH1A1HPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL21480114 0.75 CYP1A2 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 EP disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI ALDH1A1 210/4885HPGD 372/4885CYP1A2 131/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI ALDH1A1 210/4885HPGD 372/4885CYP1A2 131/4885

“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.