SCHEMBL19497635

SCHEMBL19497635

COc1ccc(OCCOC(C)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
APP P05067 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL14094032 0.85 APP (0.41) CYP2C9TSHRAPPMAPTHPGD
SCHEMBL775134 0.85 KCNA3 (0.50) MAPTALDH1A1RAB9ADRD2DRD4
SCHEMBL682076 0.84 NR5A1 (0.51) TSHRMAPTHPGDRAB9A
SCHEMBL683431 0.82 LTA4H (0.56) MAPTRAB9A
SCHEMBL14118100 0.82 KDM4E (0.50) APPMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL682083 0.82 NR5A1 (0.54) TSHRMAPTHPGDRAB9A
SCHEMBL19504727 0.82 MAOB (0.47) SMN1; SMN2RAB9A
SCHEMBL1343630 0.81 CA12 (0.65) APPMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL683157 0.80 RAB9A (0.50) MAPTSMN1; SMN2RAB9A
Potassium Ion SCHEMBL10736546 0.79 SMN1; SMN2 (0.43) CYP2C9TSHRAPPMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305848-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-26 US disclosed
US-20170305848-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-26 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-20170305848-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION ARSA, SPIN1, ASIC1 CYP2C9 1870/4885TSHR 516/4885APP 1898/4885

“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.