SCHEMBL21176481

SCHEMBL21176481

CCOCOc1ccc(Oc2sc3cc(OCOCC)ccc3c2-c2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.46
▸ ESR2 Q92731 1/20 0.35
▸ LSS P48449 9/20 0.35
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TP53 P04637 1/20 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
SCHEMBL21176624 0.81 SNCA (0.41) ESR1
SCHEMBL21176622 0.80 ESR1 (0.52) ESR1MEN1KMT2A
SCHEMBL21176524 0.75 ESR1 (0.76) ESR1ESR2
SCHEMBL4493624 0.71 NQO1 (0.50) MAPTALDH1A1KDM4E
SCHEMBL15659875 0.68 ESR1 (0.70) ESR1MAPTALDH1A1KDM4E
SCHEMBL5040359 0.67 LSS (0.44) LSS
SCHEMBL21176572 0.66 TUBB4A (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5038195 0.66 LSS (0.41) LSS
SCHEMBL14782318 0.65 ALDH1A1 (0.55) MAPTALDH1A1HSD17B10KDM4EMEN1
SCHEMBL6864771 0.65 MAPT (0.52) MAPTALDH1A1KDM4E

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 3 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

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 ESR1 2/4885ESR2 3/4885LSS 3334/4885
US-20200360543-A1 RADIOTRACERS FOR IMAGING ER-POSITIVE BREAST CANCER ESRRG, ESR1, ESR2 ESR1 2/4885ESR2 3/4885LSS 3334/4885

“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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