SCHEMBL22031991

SCHEMBL22031991

CC(C)(O)CCOc1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PIM1 P11309 1/20 0.38
GABRA5 P31644 1/20 0.37
DGAT1 O75907 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 5/20 0.37
LSS P48449 2/20 0.35
GBA1 P04062 1/20 0.35
VDR P11473 2/20 0.34
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 1/20 0.33
MAPT P10636 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
SCHEMBL22712506 0.86 KDM4E (0.40) KDM4EGABRA5DGAT1ALDH1A1EPHX2
SCHEMBL1403884 0.83 KDM4E (0.43) KDM4EGABRA5DGAT1ALDH1A1GBA1
SCHEMBL9935814 0.81 PIM1 (0.39) PIM1EPHX2VDRMAPT
SCHEMBL9935812 0.80 PIM1 (0.38) PIM1EPHX2VDRMAPT
SCHEMBL19783022 0.77 EDNRB (0.33) PIM1ALDH1A1VDR
SCHEMBL1284075 0.77 KDM4E (0.42) KDM4EGABRA5ALDH1A1LSSGBA1
SCHEMBL456392 0.77 KDM4E (0.46) KDM4EGABRA5LSSGBA1MAPT
SCHEMBL21395335 0.75 CYP2D6 (0.41) KDM4EPIM1ALDH1A1VDRMAPT
SCHEMBL3104534 0.75 KDM4E (0.44) KDM4EGABRA5GBA1MAPT
SCHEMBL256028 0.75 PIK3CD (0.43) KDM4EGABRA5DGAT1ALDH1A1LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891158-B1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2025-09-10 EP disclosed
US-12247045-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-03-11 US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
EP-3891158-A1 MAP4K4 INHIBITORS Imperial College of Science, Technology and Medicine (GB) 2021-10-13 EP disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 WO disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 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-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 KDM4E 1003/4885PIM1 272/4885GABRA5 3873/4885
US-12247045-B2 MAP4K4 inhibitors MAP4K4, MAP4K5, MAP4K1 KDM4E 1003/4885PIM1 272/4885GABRA5 3873/4885

“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.