SCHEMBL6497837

SCHEMBL6497837

CCC(CC)C(=O)OC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
CA1 P00915 4/20 0.41
PRKCA P17252 1/20 0.38
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
SOAT1 P35610 1/20 0.32
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ELANE P08246 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11289194 0.86 CA2 (0.61) CA2CA1MAPK1USP2TSHR
SCHEMBL27897566 0.80 CA2 (0.39) CA2CA1MAPK1USP2TSHR
SCHEMBL8741861 0.80 CA2 (0.39) CA2CA1PRKCAMAPK1USP2
SCHEMBL6132328 0.80 CA2 (0.35) CA2CA1MAPK1USP2TSHR
SCHEMBL31239060 0.80 PRKCA (0.37) CA2CA1PRKCASOAT1MMP8
SCHEMBL247701 0.80 CA2 (0.44) CA2CA1MAPK1USP2TSHR
SCHEMBL6566785 0.78 CA1 (0.38) CA2CA1USP2TSHRSOAT1
SCHEMBL6563244 0.78 CA1 (0.34) CA2CA1USP2TSHRSOAT1
SCHEMBL6970029 0.74 CA2 (0.38) CA2CA1MAPK1USP2TSHR
SCHEMBL30881127 0.74 CA2 (0.35) CA2CA1PRKCAMAPK1

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-6960599-B2 Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2005-11-01 US disclosed
US-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2004-01-29 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-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals HTR4, CNR1, CNR2 CA2 1179/4885CA1 1955/4885PRKCA 4656/4885

“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.