SCHEMBL23385283

SCHEMBL23385283

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
OPRM1 P35372 1/20 0.33
SLC15A1 P46059 1/20 0.31
CTSK P43235 2/20 0.31
ADRB2 P07550 1/20 0.31
PTGS2 P35354 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 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
SCHEMBL15418298 0.93 OPRM1 (0.42) DNM1TSHRTDP1OPRM1CA1
SCHEMBL11262415 0.91 OPRM1 (0.41) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL5933020 0.90 DNM1 (0.38) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL20938972 0.84 TDP1 (0.37) TSHRTDP1ADRB2PTGS2OPRK1
SCHEMBL22863409 0.83 ALDH1A1 (0.38) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL20055670 0.81 ALDH1A1 (0.37) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL18991560 0.80 DNM1 (0.35) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL22268163 0.78 ALDH1A1 (0.34) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL18884674 0.77 DNM1 (0.36) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL21654996 0.76 ALDH1A1 (0.37) DNM1ALDH1A1TSHRCYP3A4TDP1

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-20210147422-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME MELINTA THERAPEUTICS, INC. 2021-05-20 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-20210147422-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME LPO, MPO, OAT DNM1 670/4885ALDH1A1 1224/4885TSHR 4002/4885

“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.