SCHEMBL890577

SCHEMBL890577

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 6/20 0.44
THRB P10828 1/20 0.43
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
GLO1 Q04760 1/20 0.31

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
SCHEMBL890432 0.84 THRB (0.49) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL890413 0.83 TSHR (0.53) TSHRALDH1A1THRBHTT
SCHEMBL890361 0.81 TSHR (0.45) TSHRALDH1A1THRBHTT
SCHEMBL8921075 0.77 ALDH1A1 (0.38) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL9119785 0.77 ALDH1A1 (0.38) TSHRALDH1A1MEN1KMT2AGAA
Cyanate SCHEMBL28247590 0.76 ALDH1A1 (0.61) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL890394 0.76 ELANE (0.44) TSHRALDH1A1LMNAHSD17B10HTT
SCHEMBL29116554 0.76 TSHR (0.53) TSHRALDH1A1THRB
Water SCHEMBL29213737 0.75
Acrylonitrile SCHEMBL3420296 0.75 ALDH1A1 (0.55) TSHRALDH1A1THRBMEN1KMT2A

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 2742/4885ALDH1A1 1635/4885THRB 3738/4885

“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.