SCHEMBL14818706

SCHEMBL14818706

CCCCC(C)C(CCC)NC(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
DNM1 Q05193 2/20 0.32
OPRM1 P35372 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL21654996 0.86 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRDNM1OPRM1
SCHEMBL20055670 0.82 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRDNM1OPRM1
SCHEMBL20711850 0.81 TDP1 (0.33) TDP1
SCHEMBL17191626 0.80 ALDH1A1 (0.31) ALDH1A1CYP3A4TSHRDNM1OPRM1
SCHEMBL14885134 0.79 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRDNM1OPRM1
SCHEMBL21158918 0.79 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRDNM1OPRM1
SCHEMBL20922403 0.77 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHRDNM1OPRM1
SCHEMBL23223575 0.76 ADRB2 (0.34) CYP3A4TSHRTDP1
SCHEMBL23385283 0.76 DNM1 (0.35) ALDH1A1CYP3A4TSHRDNM1OPRM1
SCHEMBL21701472 0.76 METAP1 (0.32)

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-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-03-28 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-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP CENPE, CCNE2, CEP170 ALDH1A1 2841/4885CYP3A4 928/4885TSHR 4026/4885

“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.