SCHEMBL13627289

SCHEMBL13627289

O=C(CCCCCCC(=O)Nc1ccccc1)NOC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
KCNH2 Q12809 2/20 0.53
CYP2C9 P11712 1/20 0.53
HDAC6 Q9UBN7 16/20 0.50
HDAC1 Q13547 15/20 0.50
HDAC8 Q9BY41 15/20 0.50
HDAC4 P56524 14/20 0.50
HDAC11 Q96DB2 14/20 0.50
HDAC5 Q9UQL6 14/20 0.50
HDAC3 O15379 14/20 0.50
HDAC2 Q92769 14/20 0.50
HDAC7 Q8WUI4 13/20 0.50
HDAC9 Q9UKV0 13/20 0.50
HDAC10 Q969S8 13/20 0.50
NCOR1 O75376 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.49
NR1I2 O75469 1/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL9836588 0.83 EPHX2 (0.54) HDAC6HDAC1HDAC8HDAC5HDAC3
SCHEMBL28571572 0.82 TP53 (0.42) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL26190451 0.82 TP53 (0.42) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL30985368 0.81 TP53 (0.43) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL26190346 0.81 SMN1; SMN2 (0.41) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL30985338 0.81 TP53 (0.43) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL30985315 0.81 TP53 (0.43) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL13771295 0.80 TP53 (0.42) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL13771143 0.80 TP53 (0.42) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL1491596 0.80 TP53 (0.42) HDAC6HDAC1HDAC8HDAC11HDAC3

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-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 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-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CYP3A4 902/4885KCNH2 3160/4885CYP2C9 2059/4885

“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.