SCHEMBL20221022

SCHEMBL20221022

COC(C)(C)c1ccc(OC(=O)C(C)(CC(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 0.44
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SHBG P04278 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL21973669 0.88 LMNA (0.34) ELANEL3MBTL1LMNA
SCHEMBL25068947 0.84 ELANE (0.45) ELANETDP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL12058674 0.83 ELANE (0.51) ELANESMN1; SMN2MEN1KMT2ASHBG
SCHEMBL21776385 0.80 LMNA (0.43) ELANESMN1; SMN2NPSR1LMNAMAPK1
SCHEMBL21973904 0.80 ELANE (0.47) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL10250059 0.80 ELANE (0.46) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL15179665 0.77 ELANE (0.49) ELANEMAPTTDP1L3MBTL1NPSR1
SCHEMBL21973906 0.77 ELANE (0.50) ELANESMN1; SMN2
SCHEMBL19266119 0.77 ELANE (0.50) ELANEMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL23758506 0.76 ELANE (0.78) ELANE

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-20210395195-A1 ONIUM SALT, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-23 — — US disclosed
EP-3081987-B1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION USING NOVEL ONIUM SALT AND RESIST PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2018-06-06 — — EP 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-20210395195-A1 ONIUM SALT, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, AND PATTERN FORMING PROCESS RCC1, RER1, NAF1 ELANE 2602/4885MAPT 3080/4885TDP1 3373/4885

“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.

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