SCHEMBL23318346

SCHEMBL23318346

CC(C)(C)ONC(=O)CCCCCCC(=O)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.72
▸ KCNH2 Q12809 2/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ HDAC4 P56524 18/20 0.60
▸ HDAC1 Q13547 18/20 0.60
▸ HDAC11 Q96DB2 18/20 0.60
▸ HDAC8 Q9BY41 18/20 0.60
▸ HDAC6 Q9UBN7 18/20 0.60
▸ HDAC5 Q9UQL6 18/20 0.60
▸ HDAC7 Q8WUI4 17/20 0.60
▸ HDAC9 Q9UKV0 17/20 0.60
▸ HDAC3 O15379 17/20 0.60
▸ HDAC2 Q92769 17/20 0.60
▸ HDAC10 Q969S8 17/20 0.60
▸ NCOR1 O75376 2/20 0.60
▸ NCOR2 Q9Y618 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ BRD4 O60885 1/20 0.60
▸ NR1I2 O75469 1/20 0.60
▸ EGFR P00533 1/20 0.60

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
SCHEMBL27097987 0.84 CYP3A4 (1.00) CYP3A4KCNH2CYP2C9HDAC4HDAC1
SCHEMBL10198760 0.83 HDAC1 (0.66) CYP3A4KCNH2CYP2C9HDAC4HDAC1
Hydroxyamine SCHEMBL1268824 0.82 HDAC6 (0.79) CYP3A4KCNH2HDAC4HDAC1HDAC11
SCHEMBL1065393 0.82 HDAC4 (0.85) CYP3A4KCNH2HDAC4HDAC1HDAC11
SCHEMBL6669511 0.82 HDAC4 (0.85) CYP3A4KCNH2HDAC4HDAC1HDAC11
SCHEMBL137348 0.82 HDAC4 (0.85) CYP3A4KCNH2HDAC4HDAC1HDAC11
SCHEMBL6665592 0.82 HDAC4 (0.85) CYP3A4KCNH2HDAC4HDAC1HDAC11
SCHEMBL8282876 0.81 HDAC4 (0.63) CYP3A4KCNH2CYP2C9HDAC4HDAC1
SCHEMBL21710531 0.81 HDAC1 (0.64) CYP3A4KCNH2CYP2C9HDAC4HDAC1
SCHEMBL517309 0.80 HDAC4 (0.81) CYP3A4KCNH2HDAC4HDAC1HDAC11

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-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ALFASIGMA S.P.A. (IT) 2021-05-06 — — 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-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ERBB3, HDAC6, ERBB2 CYP3A4 3758/4885KCNH2 4692/4885CYP2C9 3436/4885

“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.

Send feedback