SCHEMBL23894076

SCHEMBL23894076

C#CC(=O)N(CCC(=O)N(CCC(=O)O)CCC(=O)O)N(CCC(=O)N(CCC(=O)O)CCC(=O)O)C(=O)C#C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL23894170 0.88 CYP2D6 (0.37) ALDH1A1ALDH2CYP1A2CYP2D6MAPT
SCHEMBL23901176 0.87 ALDH1A1 (0.34) ALDH1A1ALDH2CYP1A2CYP2D6MAPT
SCHEMBL23901201 0.87 — —
SCHEMBL20160128 0.80 ALDH1A1 (0.39) ALDH1A1ALDH2CYP1A2CYP2D6MAPT
SCHEMBL23894075 0.79 CYP2D6 (0.34) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL23893966 0.75 ALDH1A1 (0.36) ALDH1A1ALDH2CYP1A2CYP2D6MAPT
SCHEMBL23879339 0.71 PRMT1 (0.36) —
SCHEMBL23901007 0.71 — —
SCHEMBL19520647 0.66 TSHR (0.54) ALDH1A1ALDH2CYP1A2CYP2D6MAPT
SCHEMBL14205321 0.66 FFAR3 (0.52) ALDH1A1ALDH2

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-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-07 — — US disclosed
EP-3888691-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-10-06 — — EP 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-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS CD2BP2, DCLRE1A, EPCAM ALDH1A1 618/4885ALDH2 1268/4885CYP1A2 4497/4885

“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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