SCHEMBL17899107

SCHEMBL17899107

CC(C)(C)COCC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
SCN9A Q15858 2/20 0.36
HSD11B1 P28845 3/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MDH1 P40925 1/20 0.33
MDH2 P40926 1/20 0.33
ALDH1A1 P00352 3/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 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
SCHEMBL686312 0.88 SCN9A (0.36) PKMSCN9AHSD11B1MAPTHPGD
SCHEMBL29304020 0.81 CA12 (0.40) ALDH1A1GAAGRIN2DGRIN3BGRIN1
SCHEMBL13998861 0.80 PKM (0.41) PKMSCN9AHSD11B1MAPTHPGD
SCHEMBL16543429 0.77 SCN9A (0.34) PKMSCN9AMAPTHPGDALDH1A1
SCHEMBL686530 0.77 SCN9A (0.40) PKMSCN9AMAPTHPGD
SCHEMBL686001 0.75 ALDH1A1 (0.41) PKMSCN9AHSD11B1MAPTHPGD
SCHEMBL16543421 0.75 SCN9A (0.36) PKMSCN9AHSD11B1MAPTHPGD
SCHEMBL12854585 0.75 MAPT (0.32) PKMSCN9AMAPTHPGD
SCHEMBL15461958 0.75 SCN9A (0.37) SCN9AHSD11B1MAPTHPGDMDH1
SCHEMBL12705470 0.74 PKM (0.41) PKMSCN9AHSD11B1MAPTHPGD

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-9575408-B2 Photoresist composition and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160195809-A1 PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-07 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-20160195809-A1 PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN RER1, LCP1, COL1A1 PKM 3925/4885SCN9A 2062/4885HSD11B1 2099/4885

“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.