SCHEMBL6683418

SCHEMBL6683418

COCOc1cccc(F)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BACE1 P56817 2/20 0.38
PTPN1 P18031 1/20 0.38
KCNN4 O15554 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL3218241 0.88 PTPN1 (0.42) ALDH1A1MEN1KMT2ABACE1PTPN1
SCHEMBL13996312 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKCNN4L3MBTL1
SCHEMBL3205905 0.83 BACE1 (0.45) ALDH1A1BACE1PTPN1CHEK1AURKA
SCHEMBL34462800 0.83 BACE1 (0.45) ALDH1A1BACE1PTPN1CHEK1AURKA
SCHEMBL4542715 0.83 L3MBTL1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL305745 0.80 ERN1 (0.47) ALDH1A1KMT2AL3MBTL1TDP1KRAS
SCHEMBL20279251 0.80 ERN1 (0.42) ALDH1A1BACE1PTPN1L3MBTL1TDP1
SCHEMBL18297562 0.80 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL20541205 0.80 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ABACE1PTPN1
SCHEMBL12855017 0.80 BACE1 (0.38) ALDH1A1BACE1PTPN1L3MBTL1TDP1

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ALDH1A1 168/4885MEN1 4031/4885KMT2A 505/4885

“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.