SCHEMBL21370632

SCHEMBL21370632

CC/C=C(\C(=O)OC)c1c(C(=O)OC)ccn1Cc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC3 O15379 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
HSP90B1 P14625 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL16336695 0.89 HDAC8 (0.42) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL16336696 0.89 HDAC8 (0.42) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL16336365 0.88 HDAC8 (0.43) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL16336367 0.88 HDAC8 (0.43) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL19019383 0.86 HDAC8 (0.38) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL13694199 0.83 TUBB4A (0.41) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL3993319 0.83 TUBB4A (0.41) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL3993324 0.83 TUBB4A (0.41) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL3990876 0.82 HDAC8 (0.41) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL3990874 0.82 HDAC8 (0.41) HDAC8HDAC6HDAC11HDAC3HDAC1

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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 HDAC8 939/4885HDAC6 144/4885HDAC11 604/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 HDAC8 939/4885HDAC6 144/4885HDAC11 604/4885

“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.