SCHEMBL4388563

SCHEMBL4388563

CC(C)(C)C(=O)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
PKM P14618 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
USP2 O75604 1/20 0.56
NPSR1 Q6W5P4 2/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 2/20 0.50

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
SCHEMBL1128337 0.79 ATM (0.66) ATMPKMHDAC3HDAC4HDAC1
SCHEMBL409869 0.79 ALDH1A1 (0.66) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL27456766 0.78 ATM (0.70) ATMPKMHDAC3HDAC4HDAC1
SCHEMBL27622623 0.78 ATM (0.59) ATMPKMHDAC3HDAC4HDAC1
SCHEMBL7945050 0.77 ATM (0.55) ATMPKMHDAC3HDAC4HDAC1
SCHEMBL156372 0.76 ATM (0.68) ATMPKMHDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL40617 0.76 ATM (0.68) ATMPKMHDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL30011680 0.76 ATM (0.68) ATMPKMHDAC3HDAC4HDAC1
SCHEMBL12513866 0.76 KMT2A (0.67) ATMPKMHDAC3HDAC4HDAC1
SCHEMBL4777998 0.75 ATM (0.66) ATMPKMHDAC3HDAC4HDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US 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 (3 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS ATM 3369/4885PKM 3424/4885HDAC3 542/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD ATM 4610/4885PKM 3165/4885HDAC3 756/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD ATM 4610/4885PKM 3165/4885HDAC3 756/4885

“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.