SCHEMBL7226512

SCHEMBL7226512

COc1cccc2c1CCC(CCCCC(=O)NO)C2=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
CYP19A1 P11511 2/20 0.53
HDAC1 Q13547 8/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 7/20 0.44
HTR2C P28335 1/20 0.44
MTNR1A P48039 1/20 0.43
ACHE P22303 1/20 0.42
HDAC3 O15379 4/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42

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
SCHEMBL8536549 0.88 CYP19A1 (0.58) KDM4ELMNAPOLBMAPTCYP19A1
SCHEMBL7166102 0.87 CYP19A1 (0.57) KDM4ELMNAPOLBMAPTCYP19A1
SCHEMBL8531854 0.84 CYP19A1 (0.60) KDM4ELMNAPOLBMAPTCYP19A1
SCHEMBL7169964 0.83 CYP19A1 (0.50) KDM4ELMNAPOLBMAPTCYP19A1
SCHEMBL7171991 0.82 HDAC6 (0.51) HDAC1HDAC8HDAC6MTNR1AACHE
SCHEMBL8535560 0.82 CYP19A1 (0.62) KDM4ELMNAPOLBMAPTCYP19A1
SCHEMBL9343214 0.81 CYP19A1 (0.61) KDM4ELMNAPOLBMAPTCYP19A1
SCHEMBL8531164 0.81 CYP19A1 (0.49) KDM4ELMNAPOLBMAPTCYP19A1
SCHEMBL8672736 0.80 CYP19A1 (0.57) KDM4ELMNAPOLBMAPTCYP19A1
SCHEMBL8672738 0.80 CYP19A1 (0.57) KDM4ELMNAPOLBMAPTCYP19A1

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-6531472-B2 Has histone deacetylase (HDAC) inhibitory activity which is useful in cancer treatment HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
US-20020065282-A1 Tetralone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 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 (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-20020065282-A1 Tetralone derivatives HDAC1, HDAC5, HDAC3 KDM4E 112/4885LMNA 839/4885POLB 2354/4885

“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.