SCHEMBL3372265

SCHEMBL3372265

CCC(C)N[C]1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
HSP90AA1 P07900 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 1/20 0.37
CACNA2D1 P54289 3/20 0.36
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 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
SCHEMBL3374420 0.90
SCHEMBL3373122 0.81 CYP2D6 (0.56) ALDH1A1SMN1; SMN2CYP2D6CACNA2D1KMT2A
SCHEMBL3373137 0.77 IDO1 (0.34) CYP2D6
SCHEMBL1824933 0.75
SCHEMBL25398815 0.73 CYP2D6 (0.33) TDP1CYP2D6MEN1KMT2A
SCHEMBL4721039 0.70 ALDH1A1 (0.38) L3MBTL1ALDH1A1TP53CYP3A4HSP90AA1
SCHEMBL3376056 0.70
SCHEMBL3375786 0.70 CYP2D6 (0.38) CYP2D6
SCHEMBL3377421 0.68 CYP2D6 (0.40) CYP2D6
SCHEMBL3376932 0.67 ALDH1A1 (0.39) L3MBTL1ALDH1A1TP53CYP3A4HSP90AA1

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 L3MBTL1 2165/4885ALDH1A1 517/4885TP53 2998/4885

“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.