SCHEMBL30006663

SCHEMBL30006663

CC(C)CCCN(CCCC(C)C)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
BLM P54132 1/20 0.32

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
SCHEMBL11028943 0.83 ALDH1A1 (0.42) ALDH1A1
SCHEMBL19543140 0.78 LMNA (0.41) LMNAALDH1A1KDM4CKDM4APHF8
SCHEMBL331155 0.76 MMP1 (0.38) LMNAALDH1A1
SCHEMBL1674640 0.74 CHRM2 (0.35)
SCHEMBL3536903 0.74 DNM1 (0.42)
SCHEMBL23748577 0.74 LMNA (0.38) LMNAALDH1A1
SCHEMBL19542922 0.74 LMNA (0.38) LMNAALDH1A1
SCHEMBL19542917 0.74 LMNA (0.43) LMNAALDH1A1KDM4CKDM4APHF8
Ammonia Solution, Strong SCHEMBL5857243 0.74 MMP1 (0.37) LMNAALDH1A1
Hydrochloric Acid SCHEMBL2140855 0.74 MMP1 (0.37) LMNAALDH1A1

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-20220363976-A1 ALKYL LACTONE-DERIVED HYDROXYAMIDES AND ALKYL LACTONE-DERIVED HYDROXYESTERS FOR THE CONTROL OF NATURAL GAS HYDRATES CHAMPIONX LLC 2022-11-17 US claimed

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-20220363976-A1 ALKYL LACTONE-DERIVED HYDROXYAMIDES AND ALKYL LACTONE-DERIVED HYDROXYESTERS FOR THE CONTROL OF NATURAL GAS HYDRATES HDHD5, HACL2, ADH5 LMNA 1605/4885ALDH1A1 1258/4885KDM4C 3967/4885

“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.