SCHEMBL31611389

SCHEMBL31611389

COC(=O)C1CCC(n2ccc3cc(Br)ccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ SLC6A4 P31645 5/20 0.38
▸ SLC6A3 Q01959 5/20 0.38
▸ SLC6A2 P23975 3/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ KRAS P01116 5/20 0.36
▸ TFPI2 P48307 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL10064856 0.78 GRM2 (0.42) SLC6A4SLC6A2KRASHTR2AHTR7
SCHEMBL10064858 0.78 GRM2 (0.42) SLC6A4SLC6A2KRASHTR2AHTR7
SCHEMBL565845 0.78 GRM2 (0.42) SLC6A4SLC6A2KRASHTR2AHTR7
SCHEMBL18918053 0.77 JAK1 (0.44) —
SCHEMBL18939739 0.76 HTR7 (0.49) SLC6A4SLC6A2HTR2AHTR7
SCHEMBL15205264 0.76 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2
SCHEMBL15205266 0.76 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2
SCHEMBL22439524 0.75 HTR7 (0.48) SLC6A4SLC6A2HTR2AHTR7
SCHEMBL30588239 0.75 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2SLC6A4SLC6A3
SCHEMBL31611505 0.75 HTR7 (0.39) SLC6A4SLC6A2KRASHTR2AHTR7

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-20250177539-A1 ER DEGRADERS AND USES THEREOF ASTRAZENECA AB (SE) 2025-06-05 — — 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-20250177539-A1 ER DEGRADERS AND USES THEREOF ESR1, ESR2, ESRRA ALDH1A1 1672/4885HTT 1084/4885SMN1; SMN2 455/4885

“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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