SCHEMBL712992

SCHEMBL712992

CC(C)(C)OC(=O)CCCCCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.59
HDAC2 Q92769 11/20 0.59
HDAC8 Q9BY41 9/20 0.50
HDAC3 O15379 8/20 0.50
HDAC4 P56524 8/20 0.50
HDAC7 Q8WUI4 8/20 0.50
HDAC10 Q969S8 8/20 0.50
HDAC11 Q96DB2 8/20 0.50
HDAC6 Q9UBN7 8/20 0.50
HDAC9 Q9UKV0 8/20 0.50
HDAC5 Q9UQL6 8/20 0.50
KCNA3 P22001 1/20 0.50
PPARA Q07869 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
SCHEMBL14544471 1.00 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL16673260 0.94 L3MBTL1 (0.52) HDAC1HDAC2KCNA3PPARA
SCHEMBL6438647 0.89 PPARA (0.66) HDAC1HDAC2PPARA
SCHEMBL16713302 0.89 CYP1A2 (0.50) HDAC1HDAC2PPARA
SCHEMBL29135410 0.85 HDAC8 (0.49) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL25810589 0.85 HDAC8 (0.49) HDAC1HDAC2HDAC8
SCHEMBL20230313 0.84 KMT2A (0.52) HDAC8
SCHEMBL20230319 0.84 KMT2A (0.52) HDAC8
SCHEMBL6438658 0.84 HDAC1 (0.44) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL22091840 0.83 HDAC8 (0.42) HDAC1HDAC2HDAC8HDAC3HDAC4

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-8124778-B2 Tricyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-08-26 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-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FADS1, FAAH, SCD HDAC1 129/4885HDAC2 530/4885HDAC8 214/4885

“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.