SCHEMBL1412698

SCHEMBL1412698

C=C(C=S)C(=O)Oc1ccc(C(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
STS P08842 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
MAOA P21397 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SLC22A2 O15244 1/20 0.43
TMPRSS2 O15393 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL1412774 0.88 ESR1 (0.55) ESR1STSCYP1A2CYP3A4LMNA
SCHEMBL1412800 0.84 CA1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1888095 0.82 ELANE (0.58) CA12CA1CA2CA7CA9
SCHEMBL8672999 0.78 PRSS1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL10344282 0.78 PRSS1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL1061004 0.77 THRB (0.57) CA12CA1CA2CA7CA9
SCHEMBL1721471 0.76 CA1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL27647420 0.76 CA1 (0.79) CA12CA1CA2CA7CA9
SCHEMBL28466805 0.75 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1176935 0.75 CA12 (0.61) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9159356-B2 Non-resonant two-photon absorption recording material, non-resonant polymer two-photon absorption optical information recording medium, and recording/reproducing method FUJIFILM CORPORATION (JP) 2015-10-13 US disclosed
US-20140078878-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, NON-RESONANT POLYMER TWO-PHOTON ABSORPTION OPTICAL INFORMATION RECORDING MEDIUM, AND RECORDING/REPRODUCING METHOD FUJIFILM CORPORATION (JP) 2014-03-20 US disclosed
EP-2043096-B1 Two-photon absorption recording material containing dye having polymerizable group FUJIFILM CORP (JP) 2011-03-16 EP disclosed
US-20090088490-A1 TWO-PHOTON ABSORPTION RECORDING MATERIAL CONTAINING DYE HAVING POLYMERIZABLE GROUP FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2043096-A1 Two-photon absorption recording material containing dye having polymerizable group FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
US-7112616-B2 Two-photon absorbing polymerizable composition and polymerization process thereof FUJI PHOTO FILM CO., LTD. (JP) 2006-09-26 US disclosed
US-20040204513-A1 Two-photon absorbing polymerizable composition and polymerization process thereof FUJI PHOTO FILM CO., LTD. 2004-10-14 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-20090088490-A1 TWO-PHOTON ABSORPTION RECORDING MATERIAL CONTAINING DYE HAVING POLYMERIZABLE GROUP DCX, SLC18A2, KCNN2 CA12 167/4885CA1 171/4885CA2 196/4885
US-20140078878-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, NON-RESONANT POLYMER TWO-PHOTON ABSORPTION OPTICAL INFORMATION RECORDING MEDIUM, AND RECORDING/REPRODUCING METHOD PUF60, PARG, FHIT CA12 702/4885CA1 545/4885CA2 565/4885

“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.