SCHEMBL17877005

SCHEMBL17877005

CCN(CC)C(=O)c1ccc2cc(C)c(C)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.61
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSP90AA1 P07900 5/20 0.54
HSP90AB1 P08238 5/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 1/20 0.50
BLM P54132 1/20 0.50
MAPT P10636 1/20 0.49
MLYCD O95822 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9188069 0.91 HSP90AA1 (0.62) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL7321474 0.84 HSP90AA1 (0.56) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL14052528 0.84 HPGD (0.64) HPGDTDP1LMNASMN1; SMN2HSP90AA1
SCHEMBL471665 0.84 HPGD (0.72) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL7314304 0.83 HSP90AA1 (0.54) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL11282231 0.82 HSP90AA1 (0.66) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL18050288 0.78 HPGD (0.56) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL4545228 0.77 HSP90AA1 (0.70) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL18661938 0.77 HPGD (0.68) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL5703500 0.77 HPGD (0.73) HPGDTDP1LMNAMEN1KMT2A

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 3834/4885TDP1 3212/4885LMNA 3326/4885
US-20180065976-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS UNC119, UNC93B1, RIOX2 HPGD 3667/4885TDP1 2198/4885LMNA 3051/4885

“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.