SCHEMBL1036790

SCHEMBL1036790

CC(C)([C]=O)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.35
HTT P42858 3/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL578268 0.76 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL2448262 0.76 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL1035871 0.75 CYP2B6 (0.35)
SCHEMBL23075936 0.74 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL26381544 0.74 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL946474 0.74 TSHR (0.35) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL4471161 0.71 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL85406 0.71 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL2441206 0.70 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL23075441 0.70 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TSHRMAPK1RECQL

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
EP-2277884-B1 ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2017-08-23 EP disclosed
US-9115165-B2 Tetracyclic anthraquinone antibiotic derivatives with high activity, process for preparing the same and use thereof TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2015-08-25 US disclosed
US-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2011-09-15 US disclosed
EP-2277884-A1 ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-01-26 EP disclosed
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed
EP-0088050-A2 Coloured photo-hardenable composition CIBA-GEIGY AG (CH) 1983-09-07 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-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF DHPS, TBCA, ANTXR2 SMN1; SMN2 4513/4885ALDH1A1 909/4885TSHR 3616/4885

“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.