SCHEMBL22004342

SCHEMBL22004342

CCCC(C)c1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
PSEN1 P49768 6/20 0.39
PSEN2 P49810 6/20 0.39
APH1B Q8WW43 6/20 0.39
NCSTN Q92542 6/20 0.39
APH1A Q96BI3 6/20 0.39
PSENEN Q9NZ42 6/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.37
TSHR P16473 3/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14640349 0.87 MAPT (0.42) TP53HTTLMNAPSEN1PSEN2
SCHEMBL20365885 0.85 TP53 (0.55) TP53HTTLMNAPSEN1PSEN2
SCHEMBL19539103 0.84 HTT (0.44) TP53HTTLMNAALDH1A1TDP1
SCHEMBL24119872 0.83 GAA (0.41) TP53HTTLMNAPSEN1PSEN2
SCHEMBL22932512 0.83 PSEN1 (0.37) TP53HTTLMNAPSEN1PSEN2
SCHEMBL22028461 0.81 ALDH1A1 (0.38) HTTLMNAPSEN1PSEN2APH1B
SCHEMBL29810173 0.81 MEN1 (0.50) TP53HTTLMNAALDH1A1TDP1
SCHEMBL574260 0.81 MEN1 (0.50) TP53HTTLMNAALDH1A1TDP1
SCHEMBL23031748 0.81 TP53 (0.38) TP53HTTLMNAPSEN1PSEN2
SCHEMBL21725496 0.80 HTT (0.38) TP53HTTLMNAPSEN1PSEN2

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
US-20220251076-A1 Inhibitors of Beta-Hydoxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2022-08-11 US disclosed
US-20210032233-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2021-02-04 US disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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 (3 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG TP53 3497/4885HTT 4501/4885LMNA 2463/4885
US-20210032233-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer ASPH, CYP46A1, ALDH7A1 TP53 873/4885HTT 1545/4885LMNA 2397/4885
US-20220251076-A1 Inhibitors of Beta-Hydoxylase for Treatment of Cancer ASPH, HAGH, FAH TP53 717/4885HTT 765/4885LMNA 2246/4885

“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.