SCHEMBL30938464

SCHEMBL30938464

CC1=C(C(=O)OCC2CCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.59
ALDH1A1 P00352 11/20 0.59
HPGD P15428 5/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 4/20 0.58
LMNA P02545 2/20 0.58
AGTR1 P30556 1/20 0.58
GAA P10253 3/20 0.55
CASP1 P29466 6/20 0.53
CASP7 P55210 6/20 0.53
HSD17B10 Q99714 6/20 0.53
TSHR P16473 4/20 0.53
RAB9A P51151 2/20 0.52
GLA P06280 2/20 0.52
USP2 O75604 3/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3325765 0.89 KDM4E (0.61) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL6955134 0.81 POLB (0.68) POLBLMNATSHRMAPTMAPK1
SCHEMBL5333546 0.79 KDM4E (0.62) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL30938463 0.79 KDM4E (0.62) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL7416441 0.79 POLB (0.64) POLBLMNATSHRMAPTMAPK1
SCHEMBL7132512 0.79 POLB (0.75) POLBLMNATSHRMAPTMAPK1
SCHEMBL5476653 0.76 CACNA1F (0.62) KDM4EPOLBLMNAAGTR1TSHR
SCHEMBL30938456 0.75 GAA (0.67) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL31634787 0.75 GAA (0.67) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL5312208 0.74 KDM4E (0.66) KDM4EALDH1A1HPGDHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102387-A1 IMMUNOSUPPRESSIVE COMPOUNDS UNIV BASEL (CH) 2026-04-16 US disclosed
EP-4594304-A2 IMMUNOSUPPRESSIVE COMPOUNDS Universität Basel Vizerektorat Forschung (CH) 2025-08-06 EP disclosed
CN-120202189-A Immunosuppressant compounds 巴塞尔大学 2025-06-24 CN disclosed
WO-2024069007-A2 IMMUNOSUPPRESSIVE COMPOUNDS UNIVERSITÄT BASEL (CH) 2024-04-04 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 (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-20260102387-A1 IMMUNOSUPPRESSIVE COMPOUNDS CHP1, BRD3, IRF3 KDM4E 3376/4885ALDH1A1 4040/4885HPGD 4105/4885

“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.