SCHEMBL7548990

SCHEMBL7548990

COC(C)c1c(OCc2ccccc2)c(=O)cc(C)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GLRA1 P23415 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IDH1 O75874 1/20 0.37
PKM P14618 2/20 0.36
GSTP1 P09211 1/20 0.36
MAOA P21397 1/20 0.36

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
Hydrochloric Acid SCHEMBL6995993 0.99 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL6994353 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL2118507 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL2117763 0.80 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL8143139 0.79 IDH1 (0.38) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL7548107 0.78 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL6990702 0.77 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL1206421 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL15020503 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL15486359 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDNPC1

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-20020068758-A1 Novel orally active iron (III) chelators BTG INTERNATIONAL LIMITED. 2002-06-06 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-20020068758-A1 Novel orally active iron (III) chelators HAMP, HRH2, GRHPR MEN1 3657/4885KMT2A 1873/4885ALDH1A1 2125/4885

“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.