SCHEMBL22939374

SCHEMBL22939374

CC(C)(C)CC(C)(C)c1ccc(COCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ SHBG P04278 1/20 0.55
▸ USP2 O75604 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ CHRM3 P20309 7/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ERBB2 P04626 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ FYN P06241 2/20 0.39
▸ CHRM2 P08172 2/20 0.39

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
SCHEMBL22394570 0.84 CYP3A4 (0.58) CYP3A4SMN1; SMN2SHBGUSP2LMNA
SCHEMBL4216724 0.82 CHRM3 (0.50) CYP3A4SMN1; SMN2LMNAPTPN2PTPN1
SCHEMBL8750541 0.81 SHBG (0.55) CYP3A4SMN1; SMN2SHBGUSP2LMNA
SCHEMBL13602773 0.78 TSHR (0.47) CYP3A4SMN1; SMN2USP2LMNAPTPN2
SCHEMBL29359892 0.78 CYP3A4 (0.82) CYP3A4SMN1; SMN2SHBGUSP2LMNA
SCHEMBL1091879 0.78 CYP3A4 (0.82) CYP3A4SMN1; SMN2SHBGUSP2LMNA
SCHEMBL13932430 0.78 CYP3A4 (0.82) CYP3A4SMN1; SMN2SHBGUSP2LMNA
SCHEMBL20168125 0.78 CYP3A4 (0.82) CYP3A4SMN1; SMN2SHBGUSP2LMNA
SCHEMBL16198907 0.78 CYP3A4 (0.82) CYP3A4SMN1; SMN2SHBGUSP2LMNA
SCHEMBL2961794 0.78 CYP3A4 (0.82) CYP3A4SMN1; SMN2SHBGUSP2LMNA

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-20210032567-A1 ENVIRONMENTALLY COMPATIBLE DETERGENTS FOR INACTIVATION OF LIPID-ENVELOPED VIRUSES BAXALTA INCORPORATED (US) 2021-02-04 — — 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-20210032567-A1 ENVIRONMENTALLY COMPATIBLE DETERGENTS FOR INACTIVATION OF LIPID-ENVELOPED VIRUSES ABHD16A, LIPG, ABHD11 CYP3A4 1914/4885SMN1; SMN2 3705/4885SHBG 3881/4885

“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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