SCHEMBL3371595

SCHEMBL3371595

CCCCN[C]1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.34
TLR8 Q9NR97 6/20 0.33
TLR7 Q9NYK1 3/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.32
SLC29A1 Q99808 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL15823371 0.98 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR
SCHEMBL3370162 0.90
SCHEMBL1823573 0.84
SCHEMBL7473806 0.82 GAA (0.39) SMN1; SMN2HPGD
SCHEMBL3372710 0.73
SCHEMBL1828781 0.73
SCHEMBL5259182 0.70
SCHEMBL5258503 0.70
SCHEMBL4767111 0.70 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1KDM4EHPGDCA1
SCHEMBL1485604 0.70 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KDM4EHPGDBCHE

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-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI SMN1; SMN2 1596/4885ALDH1A1 517/4885KDM4E 4172/4885

“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.