SCHEMBL5574871

SCHEMBL5574871

CC1=C(C)CC(C(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)C(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL6695263 0.73 HDAC3 (0.69) HTTLMNAHPGDHDAC3HDAC4
SCHEMBL3696138 0.71 MEN1 (0.59) HTTLMNAHDAC3HDAC4HDAC1
SCHEMBL14249309 0.71 HDAC3 (0.71) HTTLMNAHDAC3HDAC4HDAC1
SCHEMBL10905952 0.70 ALDH1A1 (0.72) HTTLMNAHPGDKDM4EGAA
Xanthene Carboxylic Acid SCHEMBL30011680 0.70 ATM (0.68) HTTLMNAHDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL40617 0.70 ATM (0.68) HTTLMNAHDAC3HDAC4HDAC1
SCHEMBL2843958 0.69 HDAC4 (1.00) HTTLMNAHDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL2807858 0.69 ATM (0.61) HTTLMNAHDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL9551091 0.69 ATM (0.66) HTTLMNAHDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL5780275 0.69 ATM (0.66) HTTLMNAHDAC3HDAC4HDAC1

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-20070031849-A1 Three-dimensional structure of DNA recombination/repair protein and use thereof RIKEN (JP) 2007-02-08 US disclosed
EP-1452590-A1 STEREOSTRUCTURE OF DNA RECOMBINATION REPAIR ENZYME AND UTILIZATION THEREOF Riken (JP) 2004-09-01 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-20070031849-A1 Three-dimensional structure of DNA recombination/repair protein and use thereof RAD52, RAD50, RAD54L HTT 3729/4885LMNA 2393/4885HPGD 1291/4885

“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.