SCHEMBL3000696

SCHEMBL3000696

CCN1CCC(Cn2cc(C(=O)O)c(=O)c3cc(I)ccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HPGD P15428 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
PTPN1 P18031 1/20 0.43
CNR1 P21554 7/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 1/20 0.41
DRD3 P35462 1/20 0.40
BRD4 O60885 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3003439 0.94 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL13080489 0.89 HPGD (0.54) KDM4EHPGDALDH1A1HSD17B10TDP1
SCHEMBL1431957 0.89 HPGD (0.54) KDM4EHPGDALDH1A1HSD17B10TDP1
SCHEMBL4142276 0.85 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL13008010 0.85 CNR1 (0.46) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3006912 0.85 CNR1 (0.46) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL13008011 0.85 CNR1 (0.46) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL13080492 0.83 HPGD (0.50) KDM4EHPGDALDH1A1HSD17B10TDP1
SCHEMBL3004008 0.82 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL1430431 0.81 FEN1 (0.41) KDM4EHPGDALDH1A1HSD17B10TSHR

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-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 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-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 KDM4E 2874/4885HPGD 137/4885ALDH1A1 1122/4885

“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.