SCHEMBL1025243

SCHEMBL1025243

COC(=O)c1cccc(Oc2ccc(N)c(C(=O)O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.50
BRAF P15056 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
AKR1C3 P42330 1/20 0.49
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.47
PYGL P06737 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 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
SCHEMBL1029137 0.85 L3MBTL1 (0.45) HDAC3BRAFHDAC4HDAC1HDAC7
SCHEMBL1553285 0.84 KDM4E (0.55) HDAC3BRAFHDAC4HDAC1HDAC7
SCHEMBL24515570 0.84 KDM4E (0.62) L3MBTL1AKR1C3KDM4EPOLBPYGL
SCHEMBL2195918 0.83 L3MBTL1 (0.51) HDAC3BRAFHDAC4HDAC1HDAC7
SCHEMBL21612821 0.82 L3MBTL1 (0.56) L3MBTL1KDM4EPOLBUSP2ALDH1A1
SCHEMBL24926635 0.82 L3MBTL1 (0.50) L3MBTL1AKR1C3KDM4EPOLBUSP2
SCHEMBL2436534 0.82 L3MBTL1 (0.65) HDAC8L3MBTL1AKR1C3POLBALDH1A1
SCHEMBL13087758 0.81 AKR1C3 (0.65) HDAC8L3MBTL1AKR1C3KDM4EPOLB
SCHEMBL5873911 0.81 SMN1; SMN2 (0.58) HDAC8L3MBTL1AKR1C3POLBUSP2
SCHEMBL2723179 0.81 ALDH1A1 (0.57) HDAC3BRAFHDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 WO 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R HDAC3 1564/4885BRAF 4179/4885HDAC4 3278/4885

“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.