SCHEMBL5077570

SCHEMBL5077570

CCCCOC(=O)CCN(CC(CC)CCCC)C(=O)C(CC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ATM Q13315 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 9/20 0.40
CA1 P00915 4/20 0.40
DNM1 Q05193 1/20 0.37
MAPK1 P28482 1/20 0.36
DGKA P23743 1/20 0.36
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL5078272 0.91 CYP3A4 (0.47) TSHRATMCYP3A4TDP1CA2
SCHEMBL5078875 0.90 CYP3A4 (0.59) TSHRATMCYP3A4TDP1CA2
SCHEMBL5078285 0.87 CA2 (0.44) TSHRATMCYP3A4TDP1CA2
SCHEMBL5081959 0.86 ATM (0.49) TSHRATMCYP3A4TDP1CA2
SCHEMBL5081666 0.85 DNM1 (0.44) TSHRATMCYP3A4TDP1CA2
SCHEMBL5078872 0.81 CYP3A4 (0.61) TSHRATMCYP3A4TDP1CA2
SCHEMBL3965945 0.81 CA2 (0.50) TSHRATMCYP3A4TDP1CA2
SCHEMBL5137769 0.79 CYP3A4 (0.50) TSHRATMCYP3A4TDP1CA2
SCHEMBL5078876 0.79 CYP3A4 (0.58) TSHRATMCYP3A4TDP1CA2
SCHEMBL5075662 0.78 CA2 (0.45) TSHRATMCYP3A4TDP1CA2

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-20080319015-A1 Insect Repellent Mixture MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US claimed
US-20080319015-A1 Insect Repellent Mixture MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 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-20080319015-A1 Insect Repellent Mixture DDT, BCHE, DNPH1 TSHR 4143/4885ATM 4628/4885CYP3A4 1141/4885

“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.