SCHEMBL13543607

SCHEMBL13543607

CCC(CC)Cc1ccc(CNC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ HDAC1 Q13547 8/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HDAC2 Q92769 7/20 0.49
▸ HDAC3 O15379 6/20 0.49
▸ HDAC8 Q9BY41 6/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ PPARG P37231 2/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ VHL P40337 1/20 0.43

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
SCHEMBL12133623 0.82 KMT2A (0.76) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL10202712 0.81 KMT2A (0.59) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL885068 0.79 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL20715705 0.79 KMT2A (0.56) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL12646172 0.79 KMT2A (0.56) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL20715716 0.78 KMT2A (0.51) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL23627121 0.77 KMT2A (0.54) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL5608007 0.77 SLC7A5 (0.61) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL5608012 0.77 SLC7A5 (0.61) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL26161772 0.77 KMT2A (0.54) KMT2AHDAC1HDAC6MAPTALDH1A1

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-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — 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-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KMT2A 2236/4885HDAC1 39/4885HDAC6 385/4885

“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.

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