SCHEMBL6294907

SCHEMBL6294907

CCC(CC(CC)(C(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
CCR5 P51681 1/20 0.40
MAPT P10636 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL15868611 0.81 MAPT (0.44) LMNACCR5MAPTGABBR2GABBR1
SCHEMBL28053820 0.78 LMNA (0.40) LMNACCR5MAPTGABBR2GABBR1
SCHEMBL214563 0.74 LMNA (0.47) LMNACCR5MAPTGABBR2GABBR1
SCHEMBL1616269 0.73 MAPT (0.44) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL13137019 0.73 MAPT (0.44) LMNACCR5MAPTGABBR2GABBR1
SCHEMBL12082215 0.73 APAF1 (0.42) LMNACCR5MAPTGABBR2GABBR1
SCHEMBL6238050 0.73 LMNA (0.45) LMNACCR5MAPTGABBR2GABBR1
SCHEMBL15957862 0.73 HDAC8 (0.44) CCR5MAPTRIPK1CYP2D6HSD17B10
SCHEMBL5961369 0.72 PIN1 (0.46) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL169508 0.72 LMNA (0.56) LMNACCR5CYP2D6HDAC8HDAC6

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-6864383-B2 Potassium channel moderators MERCK & CO., INC. (US) 2005-03-08 US disclosed
US-20040054213-A1 Using potassium channel moderators MERCK SHARP & DOHME CORP. 2004-03-18 US disclosed
EP-0361365-A1 Aminobenzoic and aminocyclohexane-carboylic acid compounds, compositions, and their method of use E.R. SQUIBB & SONS, INC. (US) 1990-04-04 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-20040054213-A1 Using potassium channel moderators KCNN1, KCNN3, KCNJ2 LMNA 661/4885CCR5 4461/4885MAPT 1769/4885

“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.