SCHEMBL31249705

SCHEMBL31249705

NCCNC(=O)OCC=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
CA12 O43570 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
RECQL P46063 1/20 0.31
CA9 Q16790 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
Hydrochloric Acid SCHEMBL31249788 0.98 ACHE (0.34) ACHEALDH1A1CYP2C9HPGDALOX15
SCHEMBL31249789 0.86 PAOX (0.46) ACHECYP2C9ALOX15CYP1A2TSHR
Hydrochloric Acid SCHEMBL31249743 0.85 PAOX (0.44) ACHECYP2C9ALOX15CYP1A2TSHR
SCHEMBL7001155 0.82 MAPT (0.42) ACHEALDH1A1HSD17B10TSHRMEN1
Hydrochloric Acid SCHEMBL2528348 0.80 MAPT (0.41) ACHEALDH1A1HSD17B10TSHRMEN1
SCHEMBL20123338 0.78
SCHEMBL11317218 0.76 ACHE (0.48) ACHEALDH1A1CYP2C9HPGDALOX15
Hydrochloric Acid SCHEMBL27716949 0.75 ACHE (0.63) ACHEALOX15
SCHEMBL6553610 0.74
SCHEMBL28189003 0.73

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-20240398963-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2024-12-05 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-20240398963-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF TIE1, KDR, TEK ACHE 4562/4885ALDH1A1 2565/4885CYP2C9 4820/4885

“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.