SCHEMBL13554282

SCHEMBL13554282

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABL1 P00519 1/20 0.30
TSHR P16473 1/20 0.30
RIN1 Q13671 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
SCHEMBL12093464 0.81 ALDH1A1 (0.34) MDH1MDH2ALDH1A1ABL1TSHR
SCHEMBL17792425 0.79 ALDH1A1 (0.36) MDH1MDH2ALDH1A1ABL1TSHR
SCHEMBL13554478 0.78 HSD11B1 (0.31) MDH1MDH2ALDH1A1
SCHEMBL13554271 0.77 CYP17A1 (0.35)
SCHEMBL28762558 0.77 HSD11B1 (0.38) MDH1MDH2ALDH1A1ABL1TSHR
SCHEMBL10064097 0.75 PKM (0.35) MDH1MDH2ALDH1A1
SCHEMBL25454342 0.74
SCHEMBL13554272 0.74
SCHEMBL3686165 0.74 PKM (0.34) MDH1MDH2ALDH1A1
SCHEMBL14446201 0.74 PKM (0.34) MDH1MDH2ALDH1A1

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-9005874-B2 Compound, polymeric compound, acid generator, resist composition, and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-04-14 US disclosed
US-20120270155-A1 COMPOUND, POLYMERIC COMPOUND, ACID GENERATOR, RESIST COMPOSITION, AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2012-10-25 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-20120270155-A1 COMPOUND, POLYMERIC COMPOUND, ACID GENERATOR, RESIST COMPOSITION, AND METHOD OF FORMING RESIST PATTERN ASIC1, FGFR1, FGF1 MDH1 1247/4885MDH2 339/4885ALDH1A1 1026/4885

“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.