SCHEMBL10101905

SCHEMBL10101905

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
NSD2 O96028 1/20 0.40
MCL1 Q07820 1/20 0.40
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 3/20 0.38
CYP3A4 P08684 4/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL22991357 0.83 MEN1 (0.42) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL3459807 0.80 HTT (0.52) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL26115100 0.80 KDM4E (0.44) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL29457564 0.80 HTT (0.52) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL30597489 0.80 KDM4E (0.44) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL10101902 0.79 HSP90AB1 (0.46) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL3656900 0.76 HTT (0.52) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL29657461 0.76 ALDH1A1 (0.48) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL30007557 0.76 HTT (0.52) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL3285509 0.76 ALDH1A1 (0.48) KDM4EKMT2AMEN1MAPTPOLB

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 KDM4E 4196/4885KMT2A 4832/4885MEN1 3782/4885

“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.