SCHEMBL21176624

SCHEMBL21176624

CCOCOc1ccc(Oc2sc3cc(OCOCC)ccc3c2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.41
▸ ESR1 P03372 4/20 0.40
▸ LPL P06858 11/20 0.35
▸ LIPG Q9Y5X9 11/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HIF1A Q16665 2/20 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
SCHEMBL21176481 0.81 ESR1 (0.46) ESR1
SCHEMBL25065899 0.77 LPL (0.51) LPLLIPGDGAT1CA1CA2
SCHEMBL428848 0.69 CA1 (0.56) LPLLIPGDGAT1CA1CA2
SCHEMBL1767732 0.67 LPL (0.56) LPLLIPGDGAT1CA1CA2
SCHEMBL22748749 0.66 LPL (0.48) LPLLIPGDGAT1CA1CA2
SCHEMBL15064540 0.65 CA1 (0.51) SNCALPLLIPGDGAT1CA1
SCHEMBL16790069 0.64 LPL (0.56) LPLLIPGDGAT1CA1CA2
SCHEMBL5243207 0.64 CA1 (0.61) SNCALPLLIPGDGAT1CA1
SCHEMBL2439887 0.64 LIPG (0.41) SNCAESR1LPLLIPGHIF1A
SCHEMBL17690775 0.63 CA1 (0.47) SNCALPLLIPGDGAT1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200360543-A1 RADIOTRACERS FOR IMAGING ER-POSITIVE BREAST CANCER UNIV ILLINOIS (US) 2020-11-19 — — US disclosed
US-20200360543-A1 RADIOTRACERS FOR IMAGING ER-POSITIVE BREAST CANCER UNIV ILLINOIS (US) 2020-11-19 — — US disclosed
US-20190224346-A1 RADIOTRACERS FOR IMAGING ER-POSITIVE BREAST CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-25 — — US disclosed
US-20190224346-A1 RADIOTRACERS FOR IMAGING ER-POSITIVE BREAST CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-25 — — 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 (2 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-20190224346-A1 RADIOTRACERS FOR IMAGING ER-POSITIVE BREAST CANCER ESRRG, ESR1, ESR2 SNCA 4790/4885ESR1 2/4885LPL 1046/4885
US-20200360543-A1 RADIOTRACERS FOR IMAGING ER-POSITIVE BREAST CANCER ESRRG, ESR1, ESR2 SNCA 4790/4885ESR1 2/4885LPL 1046/4885

“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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