SCHEMBL23318366

SCHEMBL23318366

CC(C)N(Cc1ccc(C(=O)C(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.44
▸ HDAC8 Q9BY41 4/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ PTPN1 P18031 5/20 0.40
▸ MLYCD O95822 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ PYCR1 P32322 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL11655940 0.80 HDAC6 (0.47) HDAC6HDAC8HDAC1PTPN1MLYCD
Hydrochloric Acid SCHEMBL11651072 0.79 HDAC6 (0.46) HDAC6HDAC8HDAC1PTPN1MLYCD
SCHEMBL12632249 0.79 LSS (0.49) HDAC6HDAC1PTPN1HRH3LMNA
SCHEMBL11706284 0.76 ACHE (0.47) HDAC6HDAC8HDAC1PTPN1SMN1; SMN2
SCHEMBL8792653 0.75 PTGS1 (0.50) MEN1KMT2ALMNASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL2457698 0.75 ACHE (0.46) PTPN1SMN1; SMN2PYCR1ALDH1A1
SCHEMBL10031827 0.73 PGR (0.47) HDAC1MLYCDLMNASMN1; SMN2ALDH1A1
SCHEMBL13153417 0.73 RIPK1 (0.44) PYCR1ALDH1A1
SCHEMBL25530561 0.73 TSHR (0.46) HDAC6HDAC8LMNAHDAC11
SCHEMBL1628100 0.72 ALDH1A1 (0.59) LMNASMN1; SMN2HPGDALDH1A1POLB

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 HDAC6 2/4885HDAC8 6/4885HDAC1 8/4885

“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