SCHEMBL4773772

SCHEMBL4773772

Nn1ccc(=O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 4/20 0.38
TYR P14679 1/20 0.38
DOHH Q9BU89 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
HAAO P46952 1/20 0.33
CYP2C9 P11712 1/20 0.33
COMT P21964 1/20 0.32
GFER P55789 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL28200636 0.75 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4ETYRDOHH
SCHEMBL3463544 0.75 CA12 (0.44) ALDH1A1KMT2AKDM4EDOHHPOLB
SCHEMBL8638685 0.75 KDM4E (0.38) ALDH1A1KMT2AKDM4ETYRDOHH
SCHEMBL31116594 0.73 TSHR (0.49) ALDH1A1KMT2AKDM4ELMNACYP1A2
SCHEMBL23421081 0.71
SCHEMBL28151489 0.71
SCHEMBL4773904 0.71 CA12 (0.43) ALDH1A1KMT2AKDM4ETYRDOHH
SCHEMBL31211696 0.68 KMT2A (0.50) ALDH1A1KMT2AKDM4EPOLBLMNA
SCHEMBL21794824 0.67 LMNA (0.38) ALDH1A1KMT2AKDM4EPOLBLMNA
SCHEMBL6303581 0.67 CA12 (0.34) ALDH1A1KMT2AKDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 ALDH1A1 852/4885KMT2A 3991/4885KDM4E 4142/4885

“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.