SCHEMBL22694337

SCHEMBL22694337

O=S(=O)(O)CCOC1CC2CC[C@@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 2/20 0.33
POLB P06746 1/20 0.32
GRM1 Q13255 4/20 0.32
SCN9A Q15858 5/20 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
SCHEMBL18232620 1.00 ATM (0.38) ATMCYP19A1CYP1A2CYP2D6CYP2C9
SCHEMBL23143082 0.82 ATM (0.44) ATMCYP19A1CYP1A2CYP2D6CYP2C9
SCHEMBL16171263 0.76 CYP1A2 (0.37) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9586910 0.76 ATM (0.40) ATMCYP19A1EPHX2POLBGRM1
SCHEMBL23140753 0.76 CYP19A1 (0.48) ATMCYP19A1CYP1A2CYP2D6CYP2C9
SCHEMBL10188098 0.75 SCN9A (0.31) ATMSCN9A
SCHEMBL18775637 0.73 FDFT1 (0.35) CYP2C9EPHX2SCN9A
SCHEMBL10172872 0.72 POLB (0.42) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL18785751 0.72 ATM (0.36) ATMCYP19A1CYP1A2CYP2D6CYP2C9
SCHEMBL14318437 0.72 GRM1 (0.38) ATMCYP19A1EPHX2GRM1

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-20200369605-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-11-26 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-20200369605-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS PAG1, SLC6A5, LBR ATM 4467/4885CYP19A1 4682/4885CYP1A2 4576/4885

“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.