SCHEMBL22394570

SCHEMBL22394570

CC(C)(C)CC(C)(C)c1ccc(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ LMNA P02545 5/20 0.48
▸ USP2 O75604 5/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SHBG P04278 1/20 0.47
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ APAF1 O14727 3/20 0.42
▸ TP53 P04637 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ RAD52 P43351 3/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ ERBB2 P04626 2/20 0.42
▸ FYN P06241 2/20 0.42
▸ CHRM2 P08172 2/20 0.42

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
SCHEMBL22939374 0.84 CYP3A4 (0.61) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
SCHEMBL29359892 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
SCHEMBL16198907 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
SCHEMBL28476646 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
SCHEMBL20168125 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
SCHEMBL29496925 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
SCHEMBL2961794 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
SCHEMBL1091879 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
SCHEMBL13932430 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10
Octoxynol 9 SCHEMBL29350411 0.81 CYP3A4 (0.82) CYP3A4SMN1; SMN2LMNAUSP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192806-A1 METHODS FOR PREPARING AND PURIFYING ENVIRONMENTALLY COMPATIBLE DETERGENTS Takeda Pharmaceutical Company Limited (JP) 2023-06-14 — — EP disclosed
WO-2022029674-A1 METHODS FOR PREPARING AND PURIFYING ENVIRONMENTALLY COMPATIBLE DETERGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-10 — — WO disclosed
US-20210032567-A1 ENVIRONMENTALLY COMPATIBLE DETERGENTS FOR INACTIVATION OF LIPID-ENVELOPED VIRUSES BAXALTA INCORPORATED (US) 2021-02-04 — — US disclosed
EP-3704178-A1 ENVIRONMENTALLY COMPATIBLE DETERGENTS FOR INACTIVATION OF LIPID-ENVELOPED VIRUSES Baxalta GmbH (CH) 2020-09-09 — — EP disclosed
CN-111511800-A Environmentally compatible detergents for inactivation of lipoenveloped viruses 百深有限责任公司 2020-08-07 — — CN 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-20210032567-A1 ENVIRONMENTALLY COMPATIBLE DETERGENTS FOR INACTIVATION OF LIPID-ENVELOPED VIRUSES ABHD16A, LIPG, ABHD11 CYP3A4 1914/4885SMN1; SMN2 3705/4885LMNA 2085/4885

“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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