SCHEMBL1036469

SCHEMBL1036469

O=[C]CCC1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 2/20 0.41
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NAAA Q02083 1/20 0.37
EPHX1 P07099 1/20 0.36
SLC6A1 P30531 3/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APLNR P35414 2/20 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
SCHEMBL1035801 0.88
SCHEMBL7296913 0.85 NAAA (0.45) KMT2AHRH3HRH4CPN1CPB2
SCHEMBL4202751 0.79
SCHEMBL1098260 0.77
SCHEMBL28842808 0.77
SCHEMBL1097819 0.77
SCHEMBL7704486 0.76 HRH3 (0.53) KMT2AHRH3HRH4CPN1CPB2
SCHEMBL4708069 0.76 HRH3 (0.47) KMT2AHRH3HRH4CPN1CPB2
SCHEMBL5253418 0.76 KMT2A (0.41) KMT2AHRH3HRH4CPN1CPB2
SCHEMBL96802 0.75

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 4 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

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 KMT2A 2816/4885HRH3 4443/4885HRH4 4006/4885

“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.