SCHEMBL17876999

SCHEMBL17876999

CCN(CC)C(=O)c1ccc(C)c(C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
TSHR P16473 3/20 0.41
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16513026 0.86 HTT (0.48) HPGDHSP90AA1HSP90AB1MAPK1CYP1A2
SCHEMBL31276129 0.81 HPGD (0.49) HPGDTSHRHSP90AA1HSP90AB1MAPK1
SCHEMBL9720594 0.78 L3MBTL1 (0.50) HSP90AB1MAPK1LMNASMN1; SMN2TDP1
SCHEMBL7299202 0.77 HPGD (0.45) HPGDTSHRHSP90AA1HSP90AB1MAPK1
SCHEMBL1919502 0.75 TDP1 (0.50) HPGDCYP1A2KDM4EKMT2ALMNA
SCHEMBL6667907 0.75 ALDH1A1 (0.43) HPGDMAPK1CYP1A2KDM4EKMT2A
SCHEMBL1536288 0.74 HTT (0.55) HPGDTSHRHSP90AA1HSP90AB1MAPK1
SCHEMBL16870396 0.74 KEAP1 (0.47) HPGDTSHRHSP90AA1HSP90AB1MAPK1
SCHEMBL3671946 0.74 HPGD (0.50) HPGDHSP90AA1HSP90AB1MAPK1CYP1A2
SCHEMBL16870471 0.74 HPGD (0.49) HPGDTSHRHSP90AA1HSP90AB1MAPK1

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-20180065976-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-08 US disclosed
US-9777013-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2017-10-03 US disclosed
US-20160185791-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2016-06-30 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-20160185791-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS UNC119, UNC93B1, RIOX2 HPGD 3834/4885TSHR 3282/4885HSP90AA1 1099/4885
US-20180065976-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS UNC119, UNC93B1, RIOX2 HPGD 3667/4885TSHR 3639/4885HSP90AA1 867/4885

“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.