SCHEMBL16144365

SCHEMBL16144365

CCCCCCC1(C(=O)OCCN(CC)CC)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 6/20 0.53
▸ CHRM1 P11229 6/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ SIGMAR1 Q99720 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ CHRM4 P08173 2/20 0.53
▸ CHRM3 P20309 2/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ DRD1 P21728 1/20 0.53
▸ HRH2 P25021 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ HRH1 P35367 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ SCN1A P35498 1/20 0.53

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
SCHEMBL14697097 0.86 CYP4F2 (0.51) TSHRCYP4F2CYP4A11
SCHEMBL16653040 0.86 CYP4F2 (0.51) TSHRCYP4F2CYP4A11
SCHEMBL8411261 0.86 CYP4F2 (0.51) TSHRCYP4F2CYP4A11
SCHEMBL16652987 0.86 CYP4F2 (0.51) TSHRCYP4F2CYP4A11
SCHEMBL14697386 0.86 CYP4F2 (0.51) TSHRCYP4F2CYP4A11
SCHEMBL27260326 0.84 CYP4F2 (0.53) TSHRCYP4F2CYP4A11
Isomylamine SCHEMBL1815091 0.81 CHRM2 (0.53) CHRM2CHRM1CYP3A4SIGMAR1LMNA
Isomylamine SCHEMBL121991 0.80 CYP3A4 (0.54) CHRM2CHRM1CYP3A4SIGMAR1LMNA
SCHEMBL28630718 0.79 CYP4F2 (0.46) CHRM2CHRM1CYP3A4SIGMAR1LMNA
SCHEMBL186860 0.79 CYP4F2 (0.48) MEN1KMT2AALDH1A1CYP4F2CYP4A11

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-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2014-10-02 — — US disclosed
US-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2014-10-02 — — 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-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES DSG1, DEGS1, PLA2G2E CHRM2 1977/4885CHRM1 1426/4885CYP3A4 385/4885

“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.

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