SCHEMBL21768202

SCHEMBL21768202

CCOC(=O)C1COC(CCCC(=O)OCc2ccccc2)OC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ACACB O00763 1/20 0.42
MGLL Q99685 3/20 0.42
EGFR P00533 2/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL335391 0.81 MGLL (0.53) MGLLALDH1A1MAPK1L3MBTL1
SCHEMBL21768240 0.80 MAPT (0.38) MAPTALDH1A1ALOX5
SCHEMBL334225 0.77 MGLL (0.54) MGLLALDH1A1MAPK1L3MBTL1
SCHEMBL24768581 0.77 ALDH1A1 (0.58) LMNAALDH1A1MAPK1L3MBTL1ALOX5
SCHEMBL28016562 0.77 ALDH1A1 (0.58) LMNAALDH1A1MAPK1L3MBTL1ALOX5
SCHEMBL27312109 0.76 MGLL (0.55) MGLLALDH1A1MAPK1L3MBTL1
SCHEMBL335071 0.76 ALDH1A1 (0.53) MGLLALDH1A1MAPK1L3MBTL1
SCHEMBL27493267 0.73 ALDH1A1 (0.61) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL133636 0.72 ALDH1A1 (0.59) LMNAALDH1A1MAPK1L3MBTL1ALOX5
SCHEMBL9614230 0.72 TSHR (0.55) MAPTPKMNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110312730-B Cytotoxins and conjugates, uses thereof and methods of preparation 四川科伦博泰生物医药股份有限公司 2024-06-18 CN disclosed
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-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
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 MAPT 2420/4885ACACB 4078/4885MGLL 4230/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 MAPT 2420/4885ACACB 4078/4885MGLL 4230/4885

“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.