SCHEMBL6804331

SCHEMBL6804331

CC(C)(C)OC(=O)N(CCOc1ccc(I)cc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AKT1 P31749 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ATM Q13315 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41

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
SCHEMBL5153408 0.88 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2TSHR
SCHEMBL5152602 0.87 MAOB (0.51) HDAC3HDAC1HDAC2NCOR2TSHR
SCHEMBL6540918 0.84 HDAC1 (0.51) HDAC3HDAC1HDAC2NCOR2NPC1
SCHEMBL18290080 0.83 SSTR4 (0.45) KDM4EPOLBPDE1APDE1BPDE1C
SCHEMBL1622181 0.82 MEN1 (0.50) ALOX15KDM4EPOLBMEN1KMT2A
SCHEMBL18067955 0.81 ADRB3 (0.41) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL17726555 0.81 SLC2A1 (0.48) HDAC3HDAC1HDAC2NCOR2TSHR
SCHEMBL3328177 0.81 HDAC3 (0.54) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL18290020 0.81 CA14 (0.40) KDM4EPOLBTRPM8PDE1APDE1B
SCHEMBL18290041 0.81 PDE1A (0.38) KDM4EPOLBMEN1KMT2APDE1A

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 HDAC3 3039/4885HDAC1 3164/4885HDAC2 2822/4885

“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.