SCHEMBL16056989

SCHEMBL16056989

CCc1ccc(CCCCc2cccn(C(=O)O)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ SLC16A3 O15427 1/20 0.42
▸ EP300 Q09472 1/20 0.41
▸ KAT5 Q92993 1/20 0.41
▸ KAT8 Q9H7Z6 1/20 0.41
▸ BID P55957 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ BAK1 Q16611 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL14975444 0.88 BID (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16058352 0.88 BID (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14975000 0.88 BID (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14975362 0.88 BID (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14975345 0.86 SLC6A5 (0.41) BIDBCL2L1MCL1BAK1ALDH1A1
SCHEMBL16058205 0.85 BID (0.50) EP300KAT5KAT8BIDBCL2L1
SCHEMBL14975143 0.85 BID (0.50) EP300KAT5KAT8BIDBCL2L1
SCHEMBL16056739 0.85 BID (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14977312 0.85 BID (0.50) EP300KAT5KAT8BIDBCL2L1
SCHEMBL16057930 0.85 BID (0.50) EP300KAT5KAT8BIDBCL2L1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 — — US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 — — US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 — — WO 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 HDAC3 312/4885HDAC4 345/4885HDAC1 145/4885

“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.

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