SCHEMBL18031807

SCHEMBL18031807

C=C(C)C(=O)OCC(F)(F)C(F)(F)COC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL17576197 0.92 TSHR (0.44) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL246606 0.89 TSHR (0.48) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL19798016 0.84 TSHR (0.50) TSHRTHRBALDH1A1POLBMAPT
SCHEMBL18031805 0.83 TSHR (0.44) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL7562586 0.81 TSHR (0.42) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL15435748 0.81 THRB (0.44) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL18031818 0.81 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL246414 0.81 TSHR (0.45) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL36589 0.81 TSHR (0.45) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL246626 0.81 TSHR (0.45) TSHRTHRBALDH1A1HTTPOLB

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-9671692-B2 Compound, resin and photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed
US-9671692-B2 Compound, resin and photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed
US-20160244400-A1 COMPOUND, RESIN AND PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-25 US disclosed
US-20160244400-A1 COMPOUND, RESIN AND PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-25 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-20160244400-A1 COMPOUND, RESIN AND PHOTORESIST COMPOSITION C1R, KISS1R, C1S TSHR 1706/4885THRB 3617/4885ALDH1A1 543/4885

“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.