SCHEMBL3373445

SCHEMBL3373445

CCCCCOc1cc(C(C)=O)ccc1OC

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.71
PDE4B Q07343 3/20 0.60
CNR2 P34972 2/20 0.58
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
KMT2A Q03164 1/20 0.57
MAOB P27338 2/20 0.56
PLA2G4B P0C869 1/20 0.53

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
SCHEMBL28957152 0.98 SMPD1 (0.73) SMPD1PDE4BCNR2THRATHRB
SCHEMBL6588516 0.95 SMPD1 (0.64) SMPD1PDE4BCNR2KMT2AMAOB
SCHEMBL22502336 0.94 THRA (0.64) SMPD1PDE4BTHRATHRBKMT2A
SCHEMBL30292269 0.91 SMPD1 (0.62) SMPD1CNR2THRATHRBKMT2A
SCHEMBL10497717 0.91 SMPD1 (0.62) SMPD1CNR2THRATHRBKMT2A
SCHEMBL7175524 0.91 PDE4B (0.59) SMPD1PDE4BKMT2AMAOB
SCHEMBL10498350 0.91 SMPD1 (0.62) SMPD1CNR2THRATHRBKMT2A
SCHEMBL10498076 0.91 SMPD1 (0.62) SMPD1CNR2THRATHRBKMT2A
SCHEMBL10498409 0.91 SMPD1 (0.62) SMPD1CNR2THRATHRBKMT2A
SCHEMBL10497807 0.91 SMPD1 (0.62) SMPD1CNR2THRATHRBKMT2A

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 SMPD1 1889/4885PDE4B 1700/4885CNR2 2433/4885

“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.