SCHEMBL5081666

SCHEMBL5081666

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.44
DGKA P23743 1/20 0.44
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
NAAA Q02083 1/20 0.41
HTR2C P28335 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
CCKBR P32239 1/20 0.38

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
SCHEMBL5078285 0.95 CA2 (0.44) DNM1DGKACA2CA1NAAA
SCHEMBL5075616 0.91 CCKBR (0.45) DNM1DGKACA2CA1ALDH1A1
SCHEMBL5078876 0.86 CYP3A4 (0.58) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL5075662 0.85 CA2 (0.45) DNM1CA2CA1ALDH1A1LMNA
SCHEMBL5077570 0.85 TSHR (0.46) DNM1DGKACA2CA1ALDH1A1
SCHEMBL24942314 0.81 HTR2C (0.41) DNM1DGKANAAAHTR2CPRSS1
SCHEMBL5078872 0.81 CYP3A4 (0.61) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL5078244 0.79 DGKA (0.53) DNM1DGKANAAAHTR2CPRSS1
SCHEMBL1983094 0.76 HTR2C (0.49) DNM1DGKANAAAHTR2CPRSS1
SCHEMBL5078272 0.75 CYP3A4 (0.47) CA2CA1ALDH1A1LMNACYP3A4

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 DNM1 4383/4885DGKA 4087/4885CA2 2413/4885
US-20080319015-A1 Insect Repellent Mixture DDT, BCHE, DNPH1 DNM1 2823/4885DGKA 774/4885CA2 451/4885

“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.