SCHEMBL5045385

SCHEMBL5045385

COc1cccc(SCC(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
STAT6 P42226 1/20 0.56
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
MAPT P10636 7/20 0.49
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47

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
SCHEMBL30610971 1.00 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2499199 0.90 NPC1 (0.56) ALDH1A1LMNAKMT2AMTNR1AMTNR1B
SCHEMBL6280282 0.88 MTNR1A (0.51) ALDH1A1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL11599893 0.87 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMTNR1AMTNR1B
SCHEMBL29766169 0.86 NPC1 (0.52) ALDH1A1LMNAKMT2AMTNR1AMTNR1B
SCHEMBL5043303 0.86 NPC1 (0.52) ALDH1A1LMNAKMT2AMTNR1AMTNR1B
SCHEMBL8597033 0.84 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1MTNR1AMTNR1B
SCHEMBL9787091 0.83 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3193858 0.83 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7455676 0.82 NPC1 (0.50) ALDH1A1LMNAKMT2AMTNR1AMTNR1B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275716-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2025-04-15 US disclosed
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-08-25 US disclosed
US-11384063-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2022-07-12 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-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-20200199107-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. 2020-06-25 US disclosed
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 US disclosed
EP-3573977-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2019-12-04 EP 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
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 WO disclosed
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 US disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO 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 (10 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 2935/4885CYP1A2 3656/4885CYP3A4 4408/4885
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 ALDH1A1 1567/4885CYP1A2 201/4885CYP3A4 381/4885
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 ALDH1A1 2721/4885CYP1A2 235/4885CYP3A4 624/4885
US-11384063-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 ALDH1A1 2935/4885CYP1A2 3656/4885CYP3A4 4408/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ALDH1A1 3430/4885CYP1A2 169/4885CYP3A4 321/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ALDH1A1 3430/4885CYP1A2 169/4885CYP3A4 321/4885
US-12275716-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 ALDH1A1 2935/4885CYP1A2 3656/4885CYP3A4 4408/4885
US-20200199107-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ADRM1, MDM2, ESR2 ALDH1A1 2935/4885CYP1A2 3656/4885CYP3A4 4408/4885
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ADRM1, MDM2, ESR2 ALDH1A1 2935/4885CYP1A2 3656/4885CYP3A4 4408/4885
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators ESR1, ESR2, GPER1 ALDH1A1 1567/4885CYP1A2 201/4885CYP3A4 381/4885

“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.