SCHEMBL5491505

SCHEMBL5491505

CC1(C)CCCC(C)(C)N1OC(=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HSD11B1 P28845 1/20 0.31
HTT P42858 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL1311550 0.94 SMN1; SMN2 (0.41) TSHRNFKB1CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9865161 0.75 TSHR (0.44) TSHRNFKB1CYP2C19
SCHEMBL986872 0.75 TSHR (0.41) TSHRNFKB1CYP2C19SMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL9791511 0.74 TSHR (0.41) TSHRNFKB1CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL7743476 0.74 TSHR (0.38) TSHRNFKB1CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL11093396 0.74 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL4442630 0.73 HDAC8 (0.34) TSHRNFKB1CYP2C19ALDH1A1POLB
SCHEMBL195275 0.72 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL6013597 0.72 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL8308600 0.72 TSHR (0.37) TSHRNFKB1CYP2C19

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-20070197593-A1 HYDROXYLAMINES AND DERIVATIVES FOR TREATMENT OF INFLAMMATORY CONDITIONS OF THE LIVER COLBY PHARMACEUTICAL COMPANY 2007-08-23 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-20070197593-A1 HYDROXYLAMINES AND DERIVATIVES FOR TREATMENT OF INFLAMMATORY CONDITIONS OF THE LIVER HNMT, PYGL, HDGF TSHR 2284/4885NFKB1 515/4885CYP2C19 459/4885

“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.