SCHEMBL1487428

SCHEMBL1487428

Cc1cc(O)c(C(C)C)c(C(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
TRPA1 O75762 3/20 0.54
SLC6A2 P23975 2/20 0.54
HTR2B P41595 2/20 0.54
CHRM1 P11229 1/20 0.54
ADRA1A P35348 1/20 0.54
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
SELE P16581 1/20 0.44
ACHE P22303 1/20 0.44
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GABRA1 P14867 6/20 0.39
GABRB2 P47870 4/20 0.39
AHR P35869 1/20 0.37
GABRB1 P18505 4/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2L2 Q92843 1/20 0.36

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
SCHEMBL1494319 0.85 SELL (0.52) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL27864186 0.83 SELL (0.50) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL9064476 0.83 LMNA (0.41) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL3060235 0.79 SELL (0.46) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL7942520 0.79 GABRA1 (0.61) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL18357201 0.79 ACHE (0.59) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL4623974 0.79 LMNA (0.56) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL7033501 0.77 LMNA (0.45) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL27439431 0.77 GABRA1 (0.65) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL12096306 0.76 CA1 (0.42) LMNATRPA1SLC6A2HTR2BCHRM1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105106301-A Novel agents for the treatment of disorders connected to impaired neurotransmission DSM IP ASSETS BV 2015-12-02 CN disclosed
EP-2049132-B1 NOVEL AGENTS FOR THE TREATMENT OF DISORDERS CONNECTED TO IMPAIRED NEUROTRANSMISSION DSM IP ASSETS BV (NL) 2012-12-05 EP disclosed
US-20110237533-A1 NOVEL POLYPHENOL COMPOUND AJINOMOTO CO.,INC. (JP) 2011-09-29 US disclosed
US-20110070326-A1 OREGANO EXTRACT AND ITS COMPONENTS FOR ENHANCING VIGILANCE DSM IP ASSETS B.V. (NL) 2011-03-24 US disclosed
US-20100074976-A1 NOVEL AGENTS FOR THE TREATMENT OF DISORDERS CONNECTED TO IMPAIRED NEUROTRANSMISSION DSM IP ASSETS B.V. (NL) 2010-03-25 US disclosed
CN-101500588-A Novel agents for the treatment of disorders associated with impaired neurotransmission DSM IP ASSETS BV (NL) 2009-08-05 CN disclosed
EP-2049132-A1 NOVEL AGENTS FOR THE TREATMENT OF DISORDERS CONNECTED TO IMPAIRED NEUROTRANSMISSION DSMIP Assets B.V. (NL) 2009-04-22 EP disclosed
WO-2008017484-A1 NOVEL AGENTS FOR THE TREATMENT OF DISORDERS CONNECTED TO IMPAIRED NEUROTRANSMISSION DSM IP ASSETS B.V. (NL) 2008-02-14 WO disclosed
EP-1467958-A1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003045883-A1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-05 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 (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-20110237533-A1 NOVEL POLYPHENOL COMPOUND PNLIP, LPL, LIPC LMNA 2410/4885TRPA1 2583/4885SLC6A2 4171/4885

“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.