SCHEMBL277458

SCHEMBL277458

Cc1ccc(C)c(-c2cc(Br)ccc2Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.40
S100A4 P26447 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
AGPAT2 O15120 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
S1PR4 O95977 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34
PTPRC P08575 1/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AGTR1 P30556 1/20 0.33

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
SCHEMBL16453890 1.00 BIRC5 (0.43) BIRC5ALDH1A1MAPK1S100A4MEN1
SCHEMBL20285246 0.92 ALDH1A1 (0.48) BIRC5ALDH1A1MAPK1S100A4MEN1
SCHEMBL24352187 0.92 ALDH1A1 (0.41) BIRC5ALDH1A1MAPK1MEN1KMT2A
SCHEMBL13407668 0.82 ALDH1A1 (0.43) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL890757 0.82 S100A4 (0.46) BIRC5ALDH1A1MAPK1S100A4AGPAT2
SCHEMBL26347221 0.81 BIRC5 (0.56) BIRC5ALDH1A1MAPK1MEN1KMT2A
SCHEMBL12600377 0.78 BIRC5 (0.42) BIRC5ALDH1A1MAPK1S100A4MEN1
SCHEMBL1823000 0.78 BIRC5 (0.40) BIRC5ALDH1A1MAPK1MEN1KMT2A
SCHEMBL9770337 0.78 PTPRC (0.48) ALDH1A1MAPK1S100A4TDP1HSP90AA1
SCHEMBL852186 0.78 MAOB (0.49) ALDH1A1MAPK1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-15 US disclosed
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-17 US disclosed
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-02-25 US disclosed
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-07-09 US disclosed
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-14 US disclosed
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-10-23 US disclosed
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-28 US disclosed
US-9926272-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-03-27 US disclosed
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-07-20 US disclosed
US-9452161-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-09-27 US disclosed
WO-2006098999-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
WO-2006099032-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
WO-2006098997-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
US-20060205784-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US disclosed
US-20060205778-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US disclosed
US-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US disclosed
US-20060205775-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US disclosed
US-20060205777-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US disclosed
WO-2005087738-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 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 (14 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-20060205775-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM3, CHRM1 BIRC5 1922/4885ALDH1A1 916/4885MAPK1 3352/4885
US-20060205778-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 2720/4885ALDH1A1 1069/4885MAPK1 2733/4885
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885
US-20060205784-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 2685/4885ALDH1A1 958/4885MAPK1 2580/4885
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885
US-20060205777-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 2720/4885ALDH1A1 1069/4885MAPK1 2733/4885
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885
US-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 1825/4885ALDH1A1 1128/4885MAPK1 3307/4885
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 BIRC5 3181/4885ALDH1A1 1082/4885MAPK1 2755/4885

“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.