SCHEMBL412461

SCHEMBL412461

O=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 1.00
RXRB P28702 6/20 1.00
TSHR P16473 2/20 0.60
ALOX15 P16050 1/20 0.60
TPMT P51580 1/20 0.60
EGFR P00533 1/20 0.55
SRD5A2 P31213 2/20 0.54
BCL2L1 Q07817 1/20 0.54
BAD Q92934 1/20 0.54
RXRG P48443 2/20 0.53
TP53 P04637 1/20 0.52
TTR P02766 1/20 0.49
ALB P02768 1/20 0.49
MAOA P21397 1/20 0.49
CNR1 P21554 1/20 0.49
DRD1 P21728 1/20 0.49
OPRD1 P41143 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
MAP4K4 O95819 1/20 0.49

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
SCHEMBL2041424 0.84 TSHR (0.85) RXRARXRBTSHRALOX15SRD5A2
SCHEMBL15521764 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2
SCHEMBL30610360 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2
SCHEMBL18687046 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2
SCHEMBL142861 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2
SCHEMBL23202431 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2
SCHEMBL22734016 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2
SCHEMBL21133280 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2
SCHEMBL21133337 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2
SCHEMBL864660 0.84 EGFR (0.72) RXRARXRBTSHREGFRSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050524-A Wear-resistant amphiphobic polyphenylene sulfide composite material and preparation method thereof 江西聚真科技发展有限公司 2023-11-14 CN claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 WO disclosed
US-20140134753-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-15 US disclosed
US-20140134753-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-15 US disclosed
US-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 US disclosed
US-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 US disclosed
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-15 US disclosed
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-15 US disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
US-20060178438-A1 Muscarinic agonists ELI LILLY AND COMPANY (IN) 2006-08-10 US disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
EP-1140072-B1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-04-14 EP disclosed
WO-2004010943-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
EP-1140072-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-04-16 EP disclosed
EP-1140072-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040239-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 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 (3 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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 RXRA 617/4885RXRB 521/4885TSHR 112/4885
US-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 RXRA 617/4885RXRB 521/4885TSHR 112/4885
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP RXRA 3616/4885RXRB 3630/4885TSHR 1892/4885

“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.