SCHEMBL39335

SCHEMBL39335

CC(C)(C)OC(=O)c1cc(O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.65
CA1 P00915 7/20 0.65
CA2 P00918 7/20 0.65
CA7 P43166 7/20 0.65
CA9 Q16790 7/20 0.65
CA14 Q9ULX7 7/20 0.65
EGFR P00533 4/20 0.63
PTGS2 P35354 2/20 0.52
ALOX5 P09917 1/20 0.52
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MIF P14174 1/20 0.42
TYR P14679 1/20 0.42
HTT P42858 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
SCHEMBL30227090 1.00 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL14344780 0.85 EGFR (0.52) CA12CA1CA2CA7CA9
SCHEMBL3294852 0.85 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL24991838 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2218707 0.84 CSNK2A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL15105925 0.84 EGFR (0.48) CA12CA1CA2CA7CA9
SCHEMBL2616107 0.82 CYP3A4 (0.55) CA12CA1CA2CA7CA9
SCHEMBL20570435 0.82 EGFR (0.50) CA12CA1CA2CA7CA9
SCHEMBL9600264 0.82 EGFR (0.50) CA12CA1CA2CA7CA9
SCHEMBL8143660 0.82 HPGD (0.56) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1675590-A Photosensitive composition for interlayer dielectric and method of forming patterned interlayer dielectric AZ ELECTRONIC MATERIALS JAPAN (JP) 2005-09-28 CN claimed
US-20030096189-A1 ONIUM SALTS AND POSITIVE RESIST MATERIALS USING THE SAME YAGIHASHI FUJIO (JP) 2003-05-22 US claimed
US-20220017942-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY CLEU DIAGNOSTICS, LLC 2022-01-20 US disclosed
US-20210371898-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY CLEU DIAGNOSTICS, LLC 2021-12-02 US disclosed
EP-3856710-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY Parvizi Surgical Innovation, LLC (US) 2021-08-04 EP disclosed
WO-2020069176-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY PARVIZI SURGICAL INNOVATION, LLC (US) 2020-04-02 WO disclosed
CN-105706000-A Positive photosensitive resin composition, method for producing film using same, and electronic component 中央硝子株式会社 2016-06-22 CN disclosed
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO disclosed
CN-1675590-A Photosensitive composition for interlayer dielectric and method of forming patterned interlayer dielectric AZ ELECTRONIC MATERIALS JAPAN (JP) 2005-09-28 CN 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 (3 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-20220017942-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY MPO, LPO, EPX CA12 1192/4885CA1 1100/4885CA2 2308/4885
US-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT CA12 3500/4885CA1 1296/4885CA2 1050/4885
US-20210371898-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY MPO, LPO, EPX CA12 1192/4885CA1 1100/4885CA2 2308/4885

“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.