SCHEMBL23797387

SCHEMBL23797387

C=CCCCCC(=O)CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ABCC4 O15439 1/20 0.48
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
FAAH O00519 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.32
RECQL P46063 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4446966 0.79 MAPT (0.65) MAPTABCC4ALDH1A1LMNAFAAH
SCHEMBL909564 0.78 KMT2A (0.37) MAPTABCC4LMNAFAAHKMT2A
SCHEMBL909826 0.77 HPGD (0.40) ALDH1A1LMNAFAAHKMT2A
SCHEMBL3170373 0.77 MAPT (0.70) MAPTABCC4ALDH1A1LMNAFAAH
SCHEMBL5612431 0.77 MAPT (0.70) MAPTABCC4ALDH1A1LMNAFAAH
SCHEMBL5363934 0.77 MAPT (0.70) MAPTABCC4ALDH1A1LMNAFAAH
SCHEMBL3960154 0.77 MAPT (0.70) MAPTABCC4ALDH1A1LMNAFAAH
SCHEMBL9978409 0.74 KMT2A (0.48) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL30197206 0.74 MAPT (0.59) MAPTABCC4ALDH1A1LMNAFAAH
SCHEMBL30197401 0.74 MAPT (0.59) MAPTABCC4ALDH1A1LMNAFAAH

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
EP-3876928-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2024-10-23 EP disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
EP-3876928-A2 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-09-15 EP 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-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 MAPT 2491/4885ABCC4 2673/4885ALDH1A1 288/4885

“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.