SCHEMBL2631404

SCHEMBL2631404

C=C(C)C(=O)OC(CCC(O)(C(F)(F)F)C(F)(F)F)CCC(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2619166 0.93 TSHR (0.30) TSHR
SCHEMBL13202655 0.90 TSHR (0.33) TSHRALDH1A1
SCHEMBL13012090 0.84 TSHR (0.36) TSHR
SCHEMBL13006208 0.83 TSHR (0.36) TSHRALDH1A1
SCHEMBL15836505 0.80 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL15836497 0.80 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL15962399 0.80 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL2631403 0.79 TSHR (0.33) TSHR
SCHEMBL75484 0.79 TSHR (0.33) TSHRALDH1A1
SCHEMBL15836502 0.78 TSHR (0.35) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530692-B2 Compound, fluorine-containing polymer, radiation-sensitive resin composition and method for producing compound JSR CORPORATION (JP) 2013-09-10 US disclosed
US-20120100480-A1 COMPOUND, FLUORINE-CONTAINING POLYMER, RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD FOR PRODUCING COMPOUND JSR CORPORATION (JP) 2012-04-26 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-20120100480-A1 COMPOUND, FLUORINE-CONTAINING POLYMER, RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD FOR PRODUCING COMPOUND RER1, AFF1, FPR1 TSHR 2293/4885ALDH1A1 3184/4885

“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.