SCHEMBL23604751

SCHEMBL23604751

CCCCC(C)n1nnc2c1-c1ccccc1N(C)Cc1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
ALDH2 P05091 1/20 0.32
ALDH3A1 P30838 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
CES1 P23141 2/20 0.31
CDC25A P30304 1/20 0.31
SIGMAR1 Q99720 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC9A1 P19634 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
SCHEMBL24263859 0.96 ALDH1A1 (0.35) ALDH1A1ALDH2ALDH3A1CYP1A2CYP2D6
SCHEMBL24252206 0.93
SCHEMBL19170659 0.89
SCHEMBL23171525 0.89 MAP3K5 (0.34) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL24270686 0.87 ALDH1A1 (0.34) ALDH1A1ALDH2ALDH3A1CYP1A2CYP2D6
SCHEMBL24496849 0.85 ADRA2A (0.30)
SCHEMBL20226537 0.84 MAP3K5 (0.34) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL19199065 0.83 TOP2A (0.37) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL23604976 0.83 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL24252205 0.83 LMNA (0.31)

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-20210198314-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY SUTRO BIOPHARMA, INC. 2021-07-01 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-20210198314-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY CYP17A1, HSD17B7, SHBG ALDH1A1 1882/4885ALDH2 1616/4885ALDH3A1 1896/4885

“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.