SCHEMBL7025341

SCHEMBL7025341

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 2/20 0.36
LMNA P02545 2/20 0.36
METAP1 P53582 1/20 0.36
APP P05067 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX1 P07099 1/20 0.34
NQO1 P15559 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES1 P23141 1/20 0.33
USP18 Q9UMW8 1/20 0.33
UCHL5 Q9Y5K5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3091631 0.66 GLA (0.61) MEN1KMT2AHSD17B10ACHEPOLB
SCHEMBL424558 0.65 ALDH1A1 (0.54) HSD17B10ACHEALDH1A1RECQLLMNA
SCHEMBL14292215 0.65 MEN1 (0.48) MEN1KMT2AHSD17B10ACHEPOLB
SCHEMBL18039684 0.65 BACE1 (0.61) ALDH1A1LMNAMAPK1MAPTCES1
SCHEMBL679340 0.65 LOXL2 (0.46) MEN1KMT2AHSD17B10ACHEPOLB
SCHEMBL3093347 0.65 ALDH1A1 (0.59) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL27909482 0.64 ALDH1A1 (0.72) MEN1KMT2AHSD17B10ACHEALDH1A1
SCHEMBL22567 0.64 ALDH1A1 (0.72) MEN1KMT2AHSD17B10ACHEALDH1A1
SCHEMBL8247259 0.64 TSHR (0.46) KMT2ACYP1A2CYP2C19CA12CA9
Hydrochloric Acid SCHEMBL11060473 0.63 ALDH1A1 (0.52) HSD17B10ACHEPOLBALDH1A1RECQL

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 MEN1 1959/4885KMT2A 1113/4885HSD17B10 733/4885

“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.