SCHEMBL5057415

SCHEMBL5057415

C=C(C(=O)OC)c1ccc(C(=C)C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MAPT P10636 3/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PLK1 P53350 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL9299063 0.91 MAPT (0.48) ALDH1A1CA1CA2CA12CA9
SCHEMBL4910303 0.91 CA1 (0.57) ALDH1A1CA1CA2TDP1CA12
SCHEMBL27468651 0.91 CA1 (0.57) ALDH1A1CA1CA2TDP1CA12
SCHEMBL9300725 0.91 TDP1 (0.57) ALDH1A1TDP1MAPTATMKDM4E
Butane SCHEMBL7720074 0.91 TDP1 (0.41) ALDH1A1CA1CA2TDP1CA12
SCHEMBL20013249 0.89 LMNA (0.44) ALDH1A1TDP1MAPTATMKDM4E
SCHEMBL4910445 0.89 CA1 (0.59) CA1CA2MAPTCES2CES1
SCHEMBL2576355 0.89 RAB9A (0.47) ALDH1A1CA1CA2MAPTATM
SCHEMBL191087 0.89 HPGD (0.48) ALDH1A1CA1CA2MAPTKDM4E
SCHEMBL536908 0.89 MEN1 (0.48) ALDH1A1CA1CA2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660176-B2 Molecular imprinting of small particles, and production of small particles from solid state reactants VIRGINIA COMMONWEALTH UNIVERSITY 2003-12-09 US claimed
US-20020102312-A1 Molecular imprinting of small particles, and production of small particles from solid state reactants VIRGINIA COMMONWEALTH UNIVERSITY 2002-08-01 US claimed
WO-2002059184-A2 MOLECULAR IMPRINTING OF SMALL PARTICLES, AND PRODUCTION OF SMALL PARTICLES FROM SOLID STATE REACTANTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2002-08-01 WO claimed
JP-59216140-A None JP disclosed
US-7442754-B2 Molecular imprinting of small particles, and production of small particles from solid state reactants VIRGINIA COMMONWEALTH UNIVERSITY (US) 2008-10-28 US disclosed
US-20080242820-A1 MOLECULAR IMPRINTING OF SMALL PARTICLES, AND PRODUCTION OF SMALL PARTICLES FROM SOLID STATE REACTANTS TEPPER GARY 2008-10-02 US disclosed
US-6660176-B2 Molecular imprinting of small particles, and production of small particles from solid state reactants VIRGINIA COMMONWEALTH UNIVERSITY 2003-12-09 US disclosed
WO-2002059184-A2 MOLECULAR IMPRINTING OF SMALL PARTICLES, AND PRODUCTION OF SMALL PARTICLES FROM SOLID STATE REACTANTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2002-08-01 WO disclosed
US-20020102312-A1 Molecular imprinting of small particles, and production of small particles from solid state reactants VIRGINIA COMMONWEALTH UNIVERSITY 2002-08-01 US disclosed
JP-S59216140-A MANUFACTURE OF PHOTOSENSITIVE RESIN AGENCY OF IND SCIENCE & TECHNOL 1984-12-06 JP 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-20020102312-A1 Molecular imprinting of small particles, and production of small particles from solid state reactants MRPS22, MRPS27, EMG1 ALDH1A1 689/4885CA1 2442/4885CA2 3642/4885

“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.