SCHEMBL21645685

SCHEMBL21645685

C=CCCCCC(=O)c1ccon1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.43
HDAC3 O15379 7/20 0.41
HDAC1 Q13547 7/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC8 Q9BY41 7/20 0.41
NCOR1 O75376 6/20 0.41
ABCC4 O15439 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 4/20 0.36
CES1 P23141 1/20 0.36
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL21669602 0.89 CHRNA4 (0.36) DAGLAHDAC3HDAC1HDAC2HDAC8
SCHEMBL21646057 0.79 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8NCOR1
SCHEMBL6050089 0.73 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8NCOR1
SCHEMBL21669604 0.72 CHRNA4 (0.31)
SCHEMBL22235185 0.71 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8NCOR1
SCHEMBL27439526 0.69 ALDH1A1 (0.51) DAGLAABCC4MAPTALDH1A1FAAH
SCHEMBL12854830 0.68 MAPT (0.68) HDAC3HDAC1HDAC2HDAC8ABCC4
SCHEMBL29217264 0.67 MAPT (0.71) DAGLAHDAC3HDAC1HDAC2HDAC8
SCHEMBL3959272 0.65 CES1 (0.58) DAGLAHDAC3HDAC1ABCC4MAPT
SCHEMBL4446966 0.62 MAPT (0.65) ABCC4MAPTALDH1A1LMNAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
EP-3829559-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-06-09 EP disclosed
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 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 (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-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 DAGLA 4719/4885HDAC3 4/4885HDAC1 1/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 DAGLA 4719/4885HDAC3 4/4885HDAC1 1/4885

“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.