SCHEMBL21781787

SCHEMBL21781787

COC(=O)C1CCN(C(=O)COCCOCC(=O)O)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
OPRK1 P41145 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
LTA4H P09960 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
SCHEMBL30988369 1.00 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL21781790 0.99 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL29284584 0.84 NPC1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL21768293 0.81 ALDH1A1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL21768276 0.81 ALDH1A1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL21768279 0.81 ALDH1A1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL29284563 0.81 HTT (0.45) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL22068483 0.81 HTT (0.45) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL22068137 0.80 HTT (0.44) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL16701867 0.77 TP53 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 US disclosed
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 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 (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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 NPC1 2004/4885RAB9A 1266/4885ALDH1A1 3938/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 NPC1 2004/4885RAB9A 1266/4885ALDH1A1 3938/4885

“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.