SCHEMBL14727735

SCHEMBL14727735

CC(F)(F)C(=O)OC(CC(=O)OCC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.33
CYP17A1 P05093 3/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL14727733 0.91 TSHR (0.46) TSHRNPSR1
SCHEMBL14727734 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14727771 0.89 EPHX2 (0.34) CYP19A1CYP17A1TSHRNPSR1EPHX2
SCHEMBL14731183 0.85 TSHR (0.32) CYP19A1TSHRNPSR1EPHX2
SCHEMBL14727748 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14727738 0.85 TSHR (0.40) TSHRNPSR1
SCHEMBL685859 0.84 CYP19A1 (0.41) CYP19A1CYP17A1TSHRNPSR1EPHX2
SCHEMBL14727739 0.83
SCHEMBL14727777 0.80 TSHR (0.44) TSHRNPSR1
SCHEMBL14727767 0.79 ALDH1A1 (0.31) ALDH1A1

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-8741544-B2 Salt, photoresist composition and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-03 US disclosed
US-20130052588-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-28 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-20130052588-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN RER1, COL1A1, H1-0 CYP19A1 4200/4885CYP17A1 3683/4885TSHR 2428/4885

“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.