SCHEMBL245628

SCHEMBL245628

C=C(C)C(=O)OCCC1(C)CCO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 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
SCHEMBL27847987 0.90 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10621066 0.89 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1318444 0.86 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1356853 0.82 ALDH1A1 (0.44) THRBTSHRALDH1A1
SCHEMBL27706840 0.81 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1357092 0.80 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27806928 0.80 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL245659 0.79 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL1238155 0.79 THRB (0.38) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17839038 0.78 TSHR (0.44) THRBTSHRALDH1A1

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-105717746-A Photosensitive polysiloxane composition, protective film and element with protective film 奇美实业股份有限公司 2016-06-29 CN disclosed
US-20160179004-A1 PHOTOSENSITIVE POLYSILOXANE COMPOSITION, PROTECTING FILM, AND ELEMENT HAVING PROTECTIVE FILM CHI MEI CORPORATION (TW) 2016-06-23 US disclosed
CN-105518499-A Resin composition for forming optical waveguide, resin film for forming optical waveguide, and optical waveguide using same HITACHI CHEMICAL CO LTD 2016-04-20 CN disclosed
CN-103348289-B Radiation-sensitive composition and cured film and forming method thereof JSR CORP. (JP) 2016-04-13 CN disclosed
CN-104932199-A RADIATION-SENSITIVE COMPOSITION, CURED FILM, DISPLAY DEVICE AND COLORANTS DISPERSION JSR CORP 2015-09-23 CN disclosed
CN-102269932-B Radiation-sensitive resin composition, cured film and forming method thereof and display element JSR CORP 2015-03-25 CN disclosed
CN-102298264-B Radiation-sensitive resin composition for forming cured film, method of manufacturing the same, cured film, method for forming the cured film and display device JSR CORP 2015-02-18 CN disclosed
US-8323536-B2 Near-infrared absorbing dye, near-infrared absorptive film-forming composition, and near-infrared absorptive film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-17 US disclosed
CN-102414591-A Resin composition for forming optical waveguide, resin film for forming optical waveguide, and optical waveguide HITACHI CHEMICAL CO LTD 2012-04-11 CN disclosed
US-20120002138-A1 Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit CHI-MEI CORPORATION 2012-01-05 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-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SLCO2A1, SLC39A3, SLCO2B1 THRB 2257/4885TSHR 966/4885ALDH1A1 1150/4885

“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.