SCHEMBL447739

SCHEMBL447739

C=C(C)C(=O)OCC1CC(C)(C)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LPAR1 Q92633 1/20 0.35
HTR7 P34969 7/20 0.34
THRB P10828 1/20 0.33
OPRK1 P41145 1/20 0.31
MAPT P10636 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL12903287 0.76 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL12121058 0.76 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL12121028 0.74 ALDH1A1 (0.33) ALDH1A1OPRK1MAPT
SCHEMBL12903324 0.73 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL445031 0.73 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL231291 0.73 ALDH1A1 (0.63) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL20761311 0.73 HTR7 (0.40) HTR7
SCHEMBL5098171 0.72 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL15617 0.72 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL5098181 0.72 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598520-B2 Radiation-sensitive resin composition, polymer and method for forming a resist pattern JSR CORPORATION (JP) 2017-03-21 US disclosed
EP-2503392-B1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND RESIST PATTERN FORMATION METHOD JSR CORP (JP) 2015-04-15 EP disclosed
US-8815490-B2 Radiation-sensitive resin composition, polymer, and method for forming resist pattern JSR CORPORATION (JP) 2014-08-26 US disclosed
US-8507575-B2 Radiation-sensitive resin composition, polymer, and compound JSR CORPORATION (JP) 2013-08-13 US disclosed
US-20120295197-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND METHOD FOR FORMING A RESIST PATTERN JSR CORPORATION (JP) 2012-11-22 US disclosed
EP-2503392-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND RESIST PATTERN FORMATION METHOD JSR Corporation (JP) 2012-09-26 EP disclosed
US-20120094234-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND METHOD FOR FORMING RESIST PATTERN JSR CORPORATION (JP) 2012-04-19 US disclosed
US-20120065291-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND COMPOUND JSR CORPORATION (JP) 2012-03-15 US disclosed
CN-102099749-A Positive-type radiation-sensitive composition, and resist pattern formation method JSR CORP 2011-06-15 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 (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-20120065291-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND COMPOUND RAD51, RER1, XRCC5 ALDH1A1 2935/4885TSHR 3647/4885CYP3A4 4402/4885

“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.