SCHEMBL5075616

SCHEMBL5075616

CCCCCCCCCCCCN(CCC(=O)OCC)C(=O)C(CC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.45
CA2 P00918 6/20 0.43
CA1 P00915 3/20 0.43
KDM5A P29375 2/20 0.39
LMNA P02545 2/20 0.39
DNM1 Q05193 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
DGKA P23743 1/20 0.38
MAPT P10636 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 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
SCHEMBL5075662 0.94 CA2 (0.45) CCKBRCA2CA1LMNADNM1
SCHEMBL5081666 0.91 DNM1 (0.44) CCKBRCA2CA1LMNADNM1
SCHEMBL5078876 0.87 CYP3A4 (0.58) CA2CA1LMNAALDH1A1CYP3A4
SCHEMBL5078285 0.85 CA2 (0.44) CCKBRCA2CA1LMNADNM1
SCHEMBL5078272 0.84 CYP3A4 (0.47) CCKBRCA2CA1LMNAALDH1A1
SCHEMBL5078872 0.82 CYP3A4 (0.61) CA2CA1LMNAALDH1A1CYP3A4
SCHEMBL15400130 0.80 CA2 (0.50) CA2CA1LMNACYP3A4TSHR
SCHEMBL27494955 0.79 CA2 (0.48) CA2CA1DNM1MAPK1
SCHEMBL25545057 0.78 CYP3A4 (0.53) LMNADNM1ALDH1A1CYP3A4TSHR
SCHEMBL5078874 0.78 DNM1 (0.46) CCKBRKDM5ALMNADNM1ALDH1A1

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 4 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-20070141014-A1 Formulation assistants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-06-21 US claimed
US-20080319015-A1 Insect Repellent Mixture MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US disclosed
US-20070141014-A1 Formulation assistants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-06-21 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 (2 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-20070141014-A1 Formulation assistants C1S, C1R, AKR1C3 CCKBR 1981/4885CA2 2413/4885CA1 3226/4885
US-20080319015-A1 Insect Repellent Mixture DDT, BCHE, DNPH1 CCKBR 1341/4885CA2 451/4885CA1 1282/4885

“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.