SCHEMBL394866

SCHEMBL394866

Cc1ccc(C(=O)OCOC(=O)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ESR2 Q92731 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 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
SCHEMBL1688854 0.90 TDP1 (0.61) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL8448417 0.90 ESR1 (0.45) TDP1ALDH1A1GAAKMT2ACA12
SCHEMBL17896517 0.85 TDP1 (0.55) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL7715544 0.83 GAA (0.50) RAB9AALDH1A1NPC1MAPTGAA
SCHEMBL16627110 0.83 TDP1 (0.53) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL395527 0.82 CA1 (0.56) RAB9AALDH1A1NPC1MAPTGAA
SCHEMBL393791 0.81 MAPT (0.47) RAB9AALDH1A1NPC1MAPTKMT2A
SCHEMBL394178 0.81 TDP1 (0.44) TDP1RAB9ANPC1KMT2ACA12
SCHEMBL5210552 0.81 TDP1 (0.57) TDP1RAB9AALDH1A1NPC1GAA
SCHEMBL513612 0.81 TDP1 (0.61) TDP1RAB9AALDH1A1NPC1MAPT

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
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 TDP1 4661/4885RAB9A 4/4885ALDH1A1 1826/4885

“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.