SCHEMBL3708565

SCHEMBL3708565

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 4/20 0.37
RECQL P46063 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
METAP1 P53582 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.35
NQO1 P15559 1/20 0.34
CES1 P23141 1/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 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
SCHEMBL3708994 0.78 ALDH1A1 (0.41) KMT2AALDH1A1RECQLGAALMNA
SCHEMBL3703876 0.78 ALDH1A1 (0.41) HSD17B10ALDH1A1POLBLMNAGLA
SCHEMBL3091631 0.76 GLA (0.61) HSD17B10KMT2AACHEMEN1ALDH1A1
SCHEMBL3713259 0.75 GLA (0.60) HSD17B10KMT2AACHEALDH1A1METAP1
SCHEMBL8247259 0.74 TSHR (0.46) KMT2AGLANPSR1CA12CA9
SCHEMBL7025341 0.73 MEN1 (0.39) HSD17B10KMT2AACHEMEN1ALDH1A1
SCHEMBL18039684 0.72 BACE1 (0.61) ALDH1A1GAALMNAMAPK1CES1
SCHEMBL17171323 0.70 GLA (0.41) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL8240783 0.69 CYP1A2 (0.43) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL15085924 0.68 KMT2A (0.38) HSD17B10KMT2AACHEMEN1ALDH1A1

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 HSD17B10 733/4885KMT2A 1113/4885ACHE 587/4885

“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.