SCHEMBL3824065

SCHEMBL3824065

Oc1ccc(CCN(Cl)I)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.54
ESR2 Q92731 2/20 0.54
CA2 P00918 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ADRA2A P08913 3/20 0.46
SLC6A2 P23975 3/20 0.46
HTR1A P08908 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR3A P46098 1/20 0.46
BACE1 P56817 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LTA4H P09960 1/20 0.45
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42

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
SCHEMBL339144 0.82 ESR1 (0.59) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL9524242 0.82 ESR1 (0.59) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL1639933 0.74 RAB9A (0.49) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL9695246 0.73 ESR1 (0.59) ESR1ESR2CA2KDM4EALDH1A1
Hordenine SCHEMBL19896488 0.73 HRH3 (0.67) ESR1ESR2CA2KDM4EALDH1A1
Hordenine SCHEMBL36798 0.73 HRH3 (0.67) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL69344 0.72 ESR1 (1.00) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL3873458 0.72 ESR1 (1.00) ESR1ESR2CA2KDM4EALDH1A1
Hordenine SCHEMBL11147428 0.71 HRH3 (0.64) ESR1ESR2CA2KDM4EALDH1A1
Hordenine SCHEMBL2478680 0.71 HRH3 (0.64) ESR1ESR2CA2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585976-B2 Automated radiolabelling method GE HEALTHCARE LIMITED (GB) 2017-03-07 US disclosed
EP-1933885-B1 AUTOMATED RADIOLABELLING METHOD GE HEALTHCARE LTD (GB) 2009-08-19 EP disclosed
US-20080226552-A1 Disposal cassettes; iodine labels GE HEALTHCARE LIMITED (GB) 2008-09-18 US disclosed
EP-1933885-A2 AUTOMATED RADIOLABELLING METHOD GE Healthcare Limited (GB) 2008-06-25 EP disclosed
WO-2007042791-A2 AUTOMATED RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2007-04-19 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-20080226552-A1 Disposal cassettes; iodine labels SSTR5, SSTR1, TSHR ESR1 2716/4885ESR2 2730/4885CA2 4059/4885

“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.