SCHEMBL18546212

SCHEMBL18546212

CCC(C)(C)C(=O)NC1CCC(CC2CCC(NC(=O)OC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CCR2 P41597 1/20 0.38
SSTR4 P31391 8/20 0.35
SSTR1 P30872 1/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 6/20 0.34
HTR2A P28223 3/20 0.34
DRD3 P35462 2/20 0.34
HTR1A P08908 1/20 0.34
KDM5A P29375 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18291157 0.86 KMT2A (0.44) KMT2ACCR2SSTR4SSTR1DRD2
SCHEMBL17327907 0.85 KMT2A (0.42) KMT2ADRD2HTR2ADRD3HTR1A
SCHEMBL18291124 0.85 KMT2A (0.42) KMT2ACCR2SSTR4SSTR1KDM5A
SCHEMBL18546663 0.85 KMT2A (0.42) KMT2ACCR2SSTR4SSTR1KDM5A
SCHEMBL8464549 0.84 KMT2A (0.53) KMT2ATSHRDRD2HTR2ADRD3
SCHEMBL18909746 0.82 CCR2 (0.49) CCR2SSTR4SSTR1KDM5A
SCHEMBL15112953 0.78 KMT2A (0.47) KMT2ATSHRDRD2HTR2ADRD3
SCHEMBL11709328 0.78 EPHX1 (0.47) KMT2ASMN1; SMN2
SCHEMBL11709334 0.78 EPHX1 (0.47) KMT2ASMN1; SMN2
SCHEMBL13647683 0.78 KMT2A (0.47) KMT2ALMNATHRBALOX12SMN1; SMN2

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-20170049109-A1 ANTIMICROBIAL POLYMERIC COMPOSITIONS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-02-23 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-20170049109-A1 ANTIMICROBIAL POLYMERIC COMPOSITIONS SLC11A2, ARG1, NGLY1 KMT2A 4508/4885CCR2 1157/4885SSTR4 3653/4885

“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.