SCHEMBL26059946

SCHEMBL26059946

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.37
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
CA1 P00915 4/20 0.34
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL25403873 0.80 TSHR (0.39) CA2TSHRUSP2CA1MAPK1
SCHEMBL11561311 0.79 CA2 (0.46) CA2TSHRCA1MAPK1CYP3A4
SCHEMBL2575879 0.78 CA2 (0.39) CA2TSHRCYP3A4ATMTDP1
SCHEMBL28969956 0.78 CA2 (0.44) CA2TSHRCA1CYP3A4ATM
SCHEMBL16338750 0.77 CA2 (0.44) CA2CA1MAPK1
SCHEMBL12561138 0.75 TSHR (0.42) CA2TSHRCA1CYP3A4ATM
SCHEMBL30835554 0.75 HAO1 (0.52) MAPK1
SCHEMBL20838317 0.75 TDP1 (0.45) CA2TSHRMAPK1CYP3A4ATM
SCHEMBL15659854 0.75 TDP1 (0.45) CA2TSHRUSP2CA1MAPK1
Potassium SCHEMBL31652342 0.74 USP2 (0.50) CA2TSHRUSP2CA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692132-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-07-04 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-11692132-B2 Organic electroluminescent materials and devices OSBP, OCIAD1, OCIAD2 CA2 3386/4885TSHR 2959/4885USP2 4810/4885

“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.