SCHEMBL21243221

SCHEMBL21243221

COc1ccc2c(-c3ccc(Br)cc3)c(C=O)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TUBB4A P04350 3/20 0.39
▸ TUBB P07437 3/20 0.39
▸ TUBA3C P0DPH7 3/20 0.39
▸ TUBA1B P68363 3/20 0.39
▸ TUBA4A P68366 3/20 0.39
▸ TUBB4B P68371 3/20 0.39
▸ TUBB3 Q13509 3/20 0.39
▸ TUBB2A Q13885 3/20 0.39
▸ TUBB8 Q3ZCM7 3/20 0.39
▸ TUBA3E Q6PEY2 3/20 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
SCHEMBL21176572 0.82 TUBB4A (0.42) APPPRNPTSHRMAPK1PPARG
SCHEMBL21176622 0.77 ESR1 (0.52) APPPRNPTSHRMAPK1PPARG
SCHEMBL14615109 0.76 CYP2A6 (0.36) PRNPMAPK1PPARGRXFP1ALDH1A1
SCHEMBL21247507 0.75 MAPK1 (0.58) PRNPTSHRMAPK1PPARGHTT
SCHEMBL30610956 0.73 TUBB4A (0.51) APPPRNPTSHRMAPK1PPARG
SCHEMBL20425283 0.73 TUBB4A (0.51) APPPRNPTSHRMAPK1PPARG
SCHEMBL21243212 0.72 ESR1 (0.43) PRNPTSHRMAPK1PPARGHTT
SCHEMBL15660445 0.71 APP (0.50) APPPRNPTSHRMAPK1PPARG
SCHEMBL16346288 0.70 TUBB4A (0.53) PRNPTSHRMAPK1PPARGHTT
SCHEMBL30558082 0.70 TUBB4A (0.53) PRNPTSHRMAPK1PPARGHTT

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-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators The Board of Directors of the University of Illinois (US) 2020-07-07 — — US disclosed
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators The Board of Directors of the University of Illinois (US) 2020-07-07 — — US disclosed
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2019-08-15 — — US disclosed
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2019-08-15 — — 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-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 APP 3365/4885PRNP 4379/4885TSHR 281/4885
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators ESR1, ESR2, GPER1 APP 3365/4885PRNP 4379/4885TSHR 281/4885

“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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