SCHEMBL12604374

SCHEMBL12604374

Cc1ccc(Cn2cccc2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
MAPT P10636 4/20 0.46
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPK1 P28482 1/20 0.40
SERPINE1 P05121 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL271362 0.78 HDAC8 (0.47) HDAC8HDAC6MAPTTSHRTP53
SCHEMBL28330133 0.71 MAPT (0.56) MAPTTSHRTP53MAPK1PKM
SCHEMBL28471906 0.71 HDAC3 (0.50) HDAC8HDAC6TSHRTP53HDAC3
SCHEMBL28237435 0.70 MAPT (0.57) HDAC8HDAC6MAPTTSHRTP53
SCHEMBL28110914 0.70 CYP11B1 (0.55) HDAC8HDAC6MAPTALDH1A1LMNA
SCHEMBL24839064 0.70 MAPT (0.62) HDAC8HDAC6MAPTTSHRTP53
SCHEMBL28331440 0.70 MKNK1 (0.46) HDAC8HDAC6MAPTALDH1A1
SCHEMBL19192713 0.69 TSHR (0.83) MAPTTSHRALDH1A1LMNAHPGD
SCHEMBL24599236 0.69 TSHR (0.83) MAPTTSHRALDH1A1LMNAHPGD
SCHEMBL9022757 0.69 HDAC3 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 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-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 HDAC8 514/4885HDAC6 1183/4885MAPT 2163/4885

“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.