SCHEMBL22168546

SCHEMBL22168546

C=C(C)C(=O)OCCOC(=O)CC(CC)c1c(I)cc(I)c(N)c1I

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL22168545 0.91 THRB (0.35) THRBTSHRPOLBAPEX1HTT
SCHEMBL22168539 0.66 THRB (0.40) HIF1ATHRBTSHRPOLBAPEX1
Ammonia Solution, Strong SCHEMBL28236453 0.63 TSHR (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL12126365 0.63 THRB (0.52) CHRM1TBXA2RADRA1ATHRBTSHR
SCHEMBL12017797 0.63 THRB (0.52) CHRM1THRBTSHRPOLBAPEX1
SCHEMBL12196883 0.63 POLB (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL5030578 0.62 TDP1 (0.46) CYP2C9THRBTSHRPOLBAPEX1
SCHEMBL1652027 0.62 THRB (0.64) CHRM1CYP1A2HIF1ATHRBTSHR
SCHEMBL260320 0.62 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL16573569 0.62 THRB (0.50) THRBTSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200209747-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-02 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-20200209747-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS INSR, INSRR, ZFR LMNA 1042/4885CYP2C9 4856/4885CHRM1 4318/4885

“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.