SCHEMBL7603210

SCHEMBL7603210

NC(=O)OCCOC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
LMNA P02545 3/20 0.63
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 1/20 0.50
F2 P00734 1/20 0.50

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
SCHEMBL137486 0.89 TDP1 (0.83) TDP1LMNANPC1RAB9AALDH1A1
SCHEMBL28286830 0.87 TDP1 (0.79) TDP1LMNANPC1RAB9AALDH1A1
SCHEMBL16217656 0.87 TDP1 (0.79) TDP1LMNANPC1RAB9AALDH1A1
SCHEMBL547137 0.87 TDP1 (0.79) TDP1LMNANPC1RAB9AALDH1A1
SCHEMBL13292516 0.87 TDP1 (0.79) TDP1LMNANPC1RAB9AALDH1A1
Ethylene SCHEMBL8622525 0.85 TDP1 (0.76) TDP1LMNANPC1RAB9AALDH1A1
Ethylene SCHEMBL11578922 0.85 TDP1 (0.76) TDP1LMNANPC1RAB9AALDH1A1
Ethylene SCHEMBL9928862 0.85 TDP1 (0.76) TDP1LMNANPC1RAB9AALDH1A1
Ethylene SCHEMBL7587624 0.85 TDP1 (0.76) TDP1LMNANPC1RAB9AALDH1A1
SCHEMBL7935103 0.84 TDP1 (0.57) TDP1LMNANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464232-B2 Compound, liquid crystal composition, polymer material, and film FUJIFILM CORPORATION (JP) 2016-10-11 US disclosed
US-20140339470-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL, AND FILM FUJIFILM CORPORATION (JP) 2014-11-20 US disclosed
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 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-20140339470-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL, AND FILM CCL11, AQP1, FANCF TDP1 2891/4885LMNA 1134/4885NPC1 790/4885

“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.