SCHEMBL10101902

SCHEMBL10101902

CCC(=O)c1cc(O)c(C)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
HMGCR P04035 1/20 0.43
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
PTGS1 P23219 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
UBE2N P61088 1/20 0.38
CA9 Q16790 1/20 0.36
PKM P14618 2/20 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
SCHEMBL28048673 0.79 HSP90AB1 (0.50) HSP90AB1HMGCRCYP3A4MEN1PTGS1
SCHEMBL10101905 0.79 KDM4E (0.40) CYP3A4MEN1KMT2APOLBALDH1A1
SCHEMBL661050 0.77 HMGCR (0.60) HSP90AB1HMGCRCYP3A4MEN1PTGS1
SCHEMBL13284210 0.76 HSP90AB1 (0.52) HSP90AB1HMGCRCYP3A4MEN1PTGS1
SCHEMBL24413933 0.75 PKM (0.49) HSP90AB1HMGCRCYP3A4MEN1PTGS1
SCHEMBL10101893 0.74 HMGCR (0.41) HSP90AB1HMGCRCYP3A4ALDH1A1TSHR
SCHEMBL4841923 0.72 HMGCR (0.58) HSP90AB1HMGCRCYP3A4MEN1PTGS1
SCHEMBL2988486 0.71 ALOX15 (0.69) HSP90AB1HMGCRCYP3A4MEN1PTGS1
SCHEMBL7873560 0.70 KDM4E (0.50) CYP3A4PTGS1KMT2APOLBALDH1A1
SCHEMBL28358548 0.69 HSP90AB1 (0.48) HSP90AB1HMGCRCYP3A4MEN1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 HSP90AB1 576/4885HMGCR 74/4885CYP3A4 500/4885

“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.