SCHEMBL890413

SCHEMBL890413

C=C(C)C(=O)OCC(C#N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TGFBR1 P36897 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
SCHEMBL890577 0.83 TSHR (0.50) TSHRTHRBALDH1A1HTT
SCHEMBL890394 0.79 ELANE (0.44) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL6240721 0.78 TSHR (0.62) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL890361 0.78 TSHR (0.45) TSHRTHRBALDH1A1HTT
SCHEMBL7558346 0.77 TSHR (0.65) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL29116554 0.75 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL22083642 0.75 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11778777 0.74 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL1673788 0.73 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3718326 0.73 TSHR (0.61) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603726-B2 Radiation-sensitive resin composition, polymer and compound JSR CORPORATION (JP) 2013-12-10 US disclosed
US-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2012-04-05 US disclosed
US-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2012-04-05 US disclosed
US-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2012-04-05 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-20120082934-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND RER1, RFT1, RAD51 TSHR 2742/4885THRB 3738/4885ALDH1A1 1635/4885

“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.