SCHEMBL21153420

SCHEMBL21153420

CCCC(C)(C)C(=O)OCc1ccc(NC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ELANE P08246 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAAA Q02083 3/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
TBXAS1 P24557 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL23899582 0.88 KMT2A (0.42) KMT2AMEN1ELANETDP1SMN1; SMN2
SCHEMBL22314998 0.85 KMT2A (0.40) KMT2AMEN1ELANETDP1SMN1; SMN2
SCHEMBL18792766 0.83 ELANE (0.46) KMT2AMEN1ELANESMN1; SMN2L3MBTL1
SCHEMBL25046481 0.82 SMN1; SMN2 (0.46) KMT2AMEN1ELANETDP1SMN1; SMN2
SCHEMBL6393090 0.81 ALDH1A1 (0.53) KMT2AMEN1ELANETDP1SMN1; SMN2
SCHEMBL22947672 0.79 CA1 (0.37) KMT2AMEN1ELANETDP1SMN1; SMN2
SCHEMBL18646461 0.79 KMT2A (0.38) KMT2AMEN1ELANETDP1SMN1; SMN2
SCHEMBL22481360 0.77 ELANE (0.39) KMT2AMEN1ELANETDP1SMN1; SMN2
SCHEMBL23334849 0.75 KMT2A (0.39) KMT2AMEN1ELANETDP1SMN1; SMN2
SCHEMBL19318311 0.75 KMT2A (0.41) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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-20230144203-A1 DRUG CONJUGATE OF ERIBULIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2023-05-11 US disclosed
US-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2019-07-11 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 (2 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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 KMT2A 4385/4885MEN1 2331/4885ELANE 736/4885
US-20230144203-A1 DRUG CONJUGATE OF ERIBULIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE ERLIN1, ERLIN2, EZR KMT2A 4401/4885MEN1 2165/4885ELANE 3876/4885

“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.