SCHEMBL4905641

SCHEMBL4905641

Ic1cccc(-c2ccc(-c3cccc(I)c3)nc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.62
HSD17B2 P37059 3/20 0.62
METAP2 P50579 1/20 0.51
APP P05067 1/20 0.43
MAP4K4 O95819 2/20 0.42
HPGDS O60760 2/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
KDM1A O60341 3/20 0.36
MAOB P27338 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 1/20 0.35
LDHA P00338 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
SCHEMBL23278791 0.84 HSD17B1 (0.46) HSD17B1HSD17B2METAP2APPHPGDS
SCHEMBL17776911 0.81 CYP3A4 (0.54) HSD17B1HSD17B2METAP2APPCHRNB4
SCHEMBL28566243 0.81 METAP2 (0.49) HSD17B1HSD17B2METAP2APPMAP4K4
SCHEMBL12957239 0.80 HSD17B1 (0.67) HSD17B1HSD17B2MAP4K4HPGDSIRAK4
SCHEMBL13910991 0.78 HSD17B1 (0.63) HSD17B1HSD17B2HPGDSCYP11B1CYP11B2
SCHEMBL1181050 0.77 HSD17B1 (1.00) HSD17B1HSD17B2METAP2KDM1A
SCHEMBL22652789 0.76 HSD17B1 (0.48) HSD17B1HSD17B2METAP2APPCHRNB4
SCHEMBL6561405 0.76 METAP2 (0.50) HSD17B1HSD17B2METAP2APPCHRNB4
SCHEMBL27354843 0.76 CYP2A6 (0.47) METAP2
SCHEMBL4402515 0.76 HSD17B1 (0.61) HSD17B1HSD17B2METAP2MAP4K4KDM1A

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-9078330-B2 Highly branched dendrimers ISIS INNOVATION LIMITED (GB) 2015-07-07 US disclosed
US-20080211391-A1 Highly Branched Dendrimers CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2008-09-04 US disclosed
WO-2006097717-A1 HIGHLY BRANCHED DENDRIMERS ISIS INNOVATION LIMITED (GB) 2006-09-21 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 (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-20080211391-A1 Highly Branched Dendrimers ITGB1, PICALM, BTN3A1 HSD17B1 829/4885HSD17B2 1602/4885METAP2 3499/4885

“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.