SCHEMBL3374181

SCHEMBL3374181

O=C(O)C1[C]Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ATM Q13315 1/20 0.39
EDNRA P25101 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 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
SCHEMBL5255318 0.79 KMT2A (0.37) CYP2C9ATMHDAC3HDAC4HDAC1
SCHEMBL4915969 0.75 TSHR (0.48) ATMPOLBMEN1KMT2ALMNA
SCHEMBL3377418 0.71 MAOA (0.46) CYP2C9ATMHDAC3HDAC4HDAC1
SCHEMBL11502045 0.68 LMNA (0.37) CYP2C9EDNRAHDAC3HDAC4HDAC1
SCHEMBL5326093 0.67 MAOA (0.37) ATMMAOAMAOB
SCHEMBL3373132 0.67 MAOA (0.37) ATMMAOAMAOBMEN1KMT2A
SCHEMBL742598 0.67 MAOA (0.37) ATMMAOAMAOB
Xanthene Carboxylic Acid SCHEMBL30011680 0.65 ATM (0.68) CYP2C9ATMHDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL40617 0.65 ATM (0.68) CYP2C9ATMHDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL9551091 0.64 ATM (0.66) CYP2C9ATMHDAC3HDAC4HDAC1

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 CYP2C9 1567/4885ATM 356/4885EDNRA 1338/4885

“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.