SCHEMBL17829694

SCHEMBL17829694

COC(=O)c1coc(=O)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 1/20 0.55
HSP90AA1 P07900 2/20 0.55
RAB9A P51151 2/20 0.55
GLA P06280 7/20 0.53
L3MBTL1 Q9Y468 6/20 0.53
ALDH1A1 P00352 10/20 0.52
GAA P10253 9/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 4/20 0.52
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
TDP1 Q9NUW8 6/20 0.51
POLB P06746 6/20 0.51
RECQL P46063 6/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 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
SCHEMBL363238 0.79 CA1 (0.45) KDM4ELMNARAB9AGLAL3MBTL1
SCHEMBL110811 0.73 NPC1 (0.53) KDM4ELMNAHTTRAB9AGLA
SCHEMBL69256 0.73 CA1 (0.47) KDM4ELMNAHTTRAB9AGLA
SCHEMBL2600157 0.73 ALDH1A1 (0.49) KDM4EHTTL3MBTL1ALDH1A1GAA
SCHEMBL16289864 0.72 CA1 (0.45) KDM4ELMNAHTTGLAL3MBTL1
SCHEMBL9052946 0.72 KDM4E (0.46) KDM4ELMNAGLAL3MBTL1ALDH1A1
SCHEMBL363656 0.72 CA1 (0.45) KDM4ELMNAHTTRAB9AGLA
SCHEMBL6349733 0.71 CHRM2 (0.41) KDM4ELMNAHTTL3MBTL1ALDH1A1
SCHEMBL28327617 0.71 CHRM2 (0.44) KDM4ELMNAHTTGLAL3MBTL1
SCHEMBL1070461 0.71 CA1 (0.54) KDM4ELMNAL3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 US disclosed
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 EP disclosed
CN-114502544-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-05-13 CN disclosed
WO-2021048567-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2021-03-18 WO disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed
CN-1878764-A Beta-lactams for treatment of cns disorders GLAXO GROUP LTD (GB) 2006-12-13 CN 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-20230002346-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK KDM4E 3546/4885LMNA 1857/4885HTT 2332/4885
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 KDM4E 4525/4885LMNA 2074/4885HTT 4051/4885

“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.