SCHEMBL20155052

SCHEMBL20155052

O=C(O)CCNC(=O)/C1=C/CCCCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.56
HDAC4 P56524 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL10239618 1.00 CTSK (0.56) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL19359627 1.00 CTSK (0.56) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL19359642 1.00 CTSK (0.56) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL30465004 0.82 CTSK (0.46) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL29088342 0.82 CTSK (0.46) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL28878920 0.76 CTSK (0.59) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL13753921 0.76 CTSK (0.68) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL5513200 0.75 HDAC2 (0.66) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL5517039 0.75 HDAC2 (0.66) CTSKHDAC4HDAC2HDAC8HDAC6
SCHEMBL5517044 0.75 HDAC2 (0.66) CTSKHDAC4HDAC2HDAC8HDAC6

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-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 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 (2 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-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB CTSK 468/4885HDAC4 480/4885HDAC2 1140/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB CTSK 468/4885HDAC4 480/4885HDAC2 1140/4885

“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.