SCHEMBL18258100

SCHEMBL18258100

CC(C)(C)OC(=O)Oc1cccc(CBr)c1C(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
MAPT P10636 7/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
PTK2B Q14289 1/20 0.34
CYP2C9 P11712 1/20 0.34
RIPK1 Q13546 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MMP13 P45452 1/20 0.33
POLB P06746 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AKT1 P31749 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL979301 0.90 ELANE (0.41) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL16301776 0.87 PPARA (0.42) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL13121596 0.87 ELANE (0.39) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL12948261 0.86 ELANE (0.38) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL17826667 0.85 ELANE (0.37) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL13121600 0.85 ELANE (0.37) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL12948260 0.85 ELANE (0.39) ELANEMAPTTDP1L3MBTL1CYP1A2
SCHEMBL12948255 0.84 L3MBTL1 (0.39) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL9286370 0.84 ELANE (0.36) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL13121595 0.82 ELANE (0.41) ELANEMAPTTDP1L3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 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 (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-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC ELANE 4005/4885MAPT 990/4885TDP1 2470/4885

“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.