SCHEMBL3703876

SCHEMBL3703876

CC1(C)OC(=O)C([I+]c2ccc(Br)cc2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MDM2 Q00987 2/20 0.40
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BACE1 P56817 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 1/20 0.31

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
SCHEMBL3709910 0.84 GLA (0.38) ALDH1A1LMNAGLANPSR1BACE1
SCHEMBL3708994 0.82 ALDH1A1 (0.41) ALDH1A1LMNAL3MBTL1GLANPSR1
SCHEMBL3713259 0.79 GLA (0.60) ALDH1A1L3MBTL1GLANPSR1HSD17B10
SCHEMBL3708565 0.78 HSD17B10 (0.40) ALDH1A1LMNAPOLBGLANPSR1
SCHEMBL15570301 0.74 GLA (0.67) ALDH1A1LMNAL3MBTL1MDM2POLB
SCHEMBL3097535 0.71 GLA (0.48) ALDH1A1LMNAL3MBTL1MDM2POLB
SCHEMBL7026943 0.70 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1MDM2POLB
SCHEMBL4262330 0.69 GSK3B (0.43) ALDH1A1LMNAL3MBTL1MDM2GLA
SCHEMBL3705561 0.68 GLA (0.48) ALDH1A1LMNAPOLBGLANPSR1
SCHEMBL4365447 0.68 POLB (0.44) ALDH1A1LMNAL3MBTL1MDM2POLB

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-8742139-B2 No-carrier-added nucleophilic [F-18] fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-03 US disclosed
US-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 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-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds SLC18A1, SLC18A2, SLC6A2 ALDH1A1 842/4885LMNA 2451/4885L3MBTL1 2066/4885

“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.