SCHEMBL21907075

SCHEMBL21907075

C/C=C(Br)\C=C/C(=C\N)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 2/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14864328 0.77 ALDH1A1 (0.44) ALDH1A1HCAR2CA12CA9LMNA
SCHEMBL21164212 0.74 TGM2 (0.47) ALDH1A1HCAR2CA12CA9LMNA
SCHEMBL8320568 0.72 ALDH1A1 (0.50) ALDH1A1HCAR2CA12CA9AKR1B10
SCHEMBL12658032 0.69 ALDH1A1 (0.44) ALDH1A1HCAR2CA12CA9LMNA
SCHEMBL22394368 0.68 ALDH1A1 (0.55) ALDH1A1HCAR2CA12CA9AKR1B10
SCHEMBL17779954 0.68 ALDH1A1 (0.50) ALDH1A1HCAR2CA12CA9AKR1B10
SCHEMBL24896641 0.68 ALDH1A1 (0.46) ALDH1A1HCAR2CA12CA9AKR1B10
SCHEMBL22716123 0.68 ALDH1A1 (0.59) ALDH1A1HCAR2CA12CA9AKR1B10
SCHEMBL17177756 0.67 ALDH1A1 (0.57) ALDH1A1HCAR2CA12CA9AKR1B10
SCHEMBL11933629 0.67 ALDH1A1 (0.44) ALDH1A1HCAR2CA12CA9AKR1B10

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-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 — — 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-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 ALDH1A1 2935/4885HCAR2 1487/4885CA12 3428/4885

“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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